(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol

C15H24O — CID 5318339

IUPAC(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol
SMILESCC(C)(O)/C=C/CC1(C)C2CC3C(C2)C31C
InChIInChI=1S/C15H24O/c1-13(2,16)6-5-7-14(3)10-8-11-12(9-10)15(11,14)4/h5-6,10-12,16H,7-9H2,1-4H3/b6-5+
InChIKeyOHRVTGGRAFBYNX-AATRIKPKSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds3

About (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol

(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol (PubChem CID 5318339) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol
PubChem CID5318339
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol
SMILESCC(C)(O)/C=C/CC1(C)C2CC3C(C2)C31C
InChIInChI=1S/C15H24O/c1-13(2,16)6-5-7-14(3)10-8-11-12(9-10)15(11,14)4/h5-6,10-12,16H,7-9H2,1-4H3/b6-5+
InChIKeyOHRVTGGRAFBYNX-AATRIKPKSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol with MolForge

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Related Compounds

(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
CID 97289307
(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 98125613
1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 84820832
3-[(1S,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propanal
CID 23228573
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
(1R,3R,6R,9S)-9-[(E)-4-hydroxy-4-methylpent-2-enyl]-4-methyl-7-oxatricyclo[4.3.0.03,9]non-4-en-8-one
CID 102499725
1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane
CID 57227275
(E,6R)-6-[(1R,3R,4R)-4-bromo-3-chloro-4-methylcyclohexyl]-2-methylhept-3-ene-2,6-diol
CID 162877139
5-(2,5-dimethyl-10-methylidene-6-oxatricyclo[9.1.0.05,7]dodecan-2-yl)-2-methylpent-3-en-2-ol
CID 73319127
3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane
CID 15433328
(4S,7aS)-1-[1-[(Z)-4-hydroxy-4-methylpent-2-enyl]cyclopropyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 58828479

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol?
The IUPAC name of (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol (CID 5318339) is (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol.
What is the SMILES notation for (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol?
The canonical SMILES for (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol is CC(C)(O)/C=C/CC1(C)C2CC3C(C2)C31C.
What is the InChIKey of (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol?
The InChIKey is OHRVTGGRAFBYNX-AATRIKPKSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2,16)6-5-7-14(3)10-8-11-12(9-10)15(11,14)4/h5-6,10-12,16H,7-9H2,1-4H3/b6-5+.
What are the key properties of (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol?
(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol is sourced from PubChem (CID 5318339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).