(Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane

C31H50O — CID 160916467

IUPAC(Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane
SMILESC/C(=C/CC[C@]1(C)C2CC3[C@H](C2)C31C)CO.C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)CC
InChIInChI=1S/C16H26.C15H24O/c1-5-12(2)7-6-10-16(4)13(3)14-8-9-15(16)11-14;1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h7,14-15H,3,5-6,8-11H2,1-2,4H3;5,11-13,16H,4,6-9H2,1-3H3/b12-7-;10-5-/t14-,15+,16+;11?,12-,13?,14+,15?/m10/s1
InChIKeySRLUBYITEGBGGC-DOHLYVBUSA-N
MW438.74 g/mol
LogP8.50
Rot. Bonds8

About (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane

(Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 160916467) has the molecular formula C31H50O and a molecular weight of 438.74 g/mol. Its IUPAC name is (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane
PubChem CID160916467
Molecular FormulaC31H50O
Molecular Weight438.74 g/mol
Exact Mass438.39
IUPAC Name(Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane
SMILESC/C(=C/CC[C@]1(C)C2CC3[C@H](C2)C31C)CO.C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)CC
InChIInChI=1S/C16H26.C15H24O/c1-5-12(2)7-6-10-16(4)13(3)14-8-9-15(16)11-14;1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h7,14-15H,3,5-6,8-11H2,1-2,4H3;5,11-13,16H,4,6-9H2,1-3H3/b12-7-;10-5-/t14-,15+,16+;11?,12-,13?,14+,15?/m10/s1
InChIKeySRLUBYITEGBGGC-DOHLYVBUSA-N
XLogP8.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.74
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol;(Z)-2-methyl-5-[(1S,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 159532023
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 6857681
2-methyl-5-[(2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 54154316
2-methyl-5-[(2R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 123863985
(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 118978202
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
(1S)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
CID 90472923
CID 159051266
CID 159051266
(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol
CID 123668772
(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol
CID 10376273
[(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-enyl] butanoate
CID 6437243

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane (CID 160916467) is (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane is C/C(=C/CC[C@]1(C)C2CC3[C@H](C2)C31C)CO.C=C1[C@@H]2CC[C@@H](C2)[C@@]1(C)CC/C=C(/C)CC.
What is the InChIKey of (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is SRLUBYITEGBGGC-DOHLYVBUSA-N. The full InChI is InChI=1S/C16H26.C15H24O/c1-5-12(2)7-6-10-16(4)13(3)14-8-9-15(16)11-14;1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h7,14-15H,3,5-6,8-11H2,1-2,4H3;5,11-13,16H,4,6-9H2,1-3H3/b12-7-;10-5-/t14-,15+,16+;11?,12-,13?,14+,15?/m10/s1.
What are the key properties of (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane?
(Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 438.74 g/mol, XLogP of 8.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 160916467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).