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

C30H48O2 — CID 159532023

IUPAC5-(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
SMILESC=C1[C@@H]2CC[C@@H](C2)C1(C)CC/C=C(/C)CO.CC(=CCCC1(C)C2CC3C(C2)C31C)CO
InChIInChI=1S/2C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3;1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,11-13,16H,4,6-9H2,1-3H3;5,13-14,16H,2,4,6-10H2,1,3H3/b;11-5-/t;13-,14+,15?/m.1/s1
InChIKeyMDCTURIGCBTRQI-PYUVIRHHSA-N
MW440.71 g/mol
LogP7.09
Rot. Bonds8

About 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

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 (PubChem CID 159532023) has the molecular formula C30H48O2 and a molecular weight of 440.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID159532023
Molecular FormulaC30H48O2
Molecular Weight440.71 g/mol
Exact Mass440.37
IUPAC Name5-(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
SMILESC=C1[C@@H]2CC[C@@H](C2)C1(C)CC/C=C(/C)CO.CC(=CCCC1(C)C2CC3C(C2)C31C)CO
InChIInChI=1S/2C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3;1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,11-13,16H,4,6-9H2,1-3H3;5,13-14,16H,2,4,6-10H2,1,3H3/b;11-5-/t;13-,14+,15?/m.1/s1
InChIKeyMDCTURIGCBTRQI-PYUVIRHHSA-N
XLogP7.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(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
(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
2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-1-en-3-ol
CID 54129686

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1[C@@H]2CC[C@@H](C2)C1(C)CC/C=C(/C)CO.CC(=CCCC1(C)C2CC3C(C2)C31C)CO.
What is the InChIKey of 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?
The InChIKey is MDCTURIGCBTRQI-PYUVIRHHSA-N. The full InChI is InChI=1S/2C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3;1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,11-13,16H,4,6-9H2,1-3H3;5,13-14,16H,2,4,6-10H2,1,3H3/b;11-5-/t;13-,14+,15?/m.1/s1.
What are the key properties of 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?
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 has a molecular weight of 440.71 g/mol, XLogP of 7.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159532023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).