1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol

C14H24O — CID 70571636

IUPAC1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
SMILESC=C1C2CCC(C2)C1(C)CCC(O)CC
InChIInChI=1S/C14H24O/c1-4-13(15)7-8-14(3)10(2)11-5-6-12(14)9-11/h11-13,15H,2,4-9H2,1,3H3
InChIKeyUFSGHOKIFCAURN-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds4

About 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol

1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol (PubChem CID 70571636) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol.

Molecular Properties

Compound Name1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
PubChem CID70571636
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
SMILESC=C1C2CCC(C2)C1(C)CCC(O)CC
InChIInChI=1S/C14H24O/c1-4-13(15)7-8-14(3)10(2)11-5-6-12(14)9-11/h11-13,15H,2,4-9H2,1,3H3
InChIKeyUFSGHOKIFCAURN-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cedrenol
CID 119831
Khusimol
CID 167519
Cyclohexanol, 3-(5,5-dimethyl-6-methylenebicyclo(2.2.1)hept-2-yl)-
CID 109188
Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-
CID 114559
Lubiminol
CID 10376937
(1S,2S,6S,7R,11S)-1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-ol
CID 14109432
Camphenol, 6-
CID 526611
Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
CID 86114
Bicyclo(2.2.1)heptane-2-methanol, alpha,3,3-trimethyl-
CID 106672
(1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]prop-2-en-1-ol
CID 18503891
(1S)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]but-3-en-1-ol
CID 18503892
(1R)-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl]prop-2-en-1-ol
CID 18503917

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol?
The IUPAC name of 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol (CID 70571636) is 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol.
What is the SMILES notation for 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol?
The canonical SMILES for 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol is C=C1C2CCC(C2)C1(C)CCC(O)CC.
What is the InChIKey of 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol?
The InChIKey is UFSGHOKIFCAURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-13(15)7-8-14(3)10(2)11-5-6-12(14)9-11/h11-13,15H,2,4-9H2,1,3H3.
What are the key properties of 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol?
1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol has a molecular weight of 208.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-3-ol is sourced from PubChem (CID 70571636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).