5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol

C15H26O — CID 123668772

IUPAC5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol
SMILESCC(=CCCC1(C)C2CCC(C)C1C2)CO
InChIInChI=1S/C15H26O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5,12-14,16H,4,6-10H2,1-3H3
InChIKeyNJKUYOAXVLYQCP-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds4

About 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol

5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol (PubChem CID 123668772) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol.

Molecular Properties

Compound Name5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol
PubChem CID123668772
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol
SMILESCC(=CCCC1(C)C2CCC(C)C1C2)CO
InChIInChI=1S/C15H26O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5,12-14,16H,4,6-10H2,1-3H3
InChIKeyNJKUYOAXVLYQCP-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
(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
(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 162928874
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)-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
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 10559466
(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol?
The IUPAC name of 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol (CID 123668772) is 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol.
What is the SMILES notation for 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol?
The canonical SMILES for 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol is CC(=CCCC1(C)C2CCC(C)C1C2)CO.
What is the InChIKey of 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol?
The InChIKey is NJKUYOAXVLYQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5,12-14,16H,4,6-10H2,1-3H3.
What are the key properties of 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol?
5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol is sourced from PubChem (CID 123668772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).