2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol

C14H24O — CID 22914090

IUPAC2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol
SMILESC=CCC(CO)C1CCC2CC1C2(C)C
InChIInChI=1S/C14H24O/c1-4-5-10(9-15)12-7-6-11-8-13(12)14(11,2)3/h4,10-13,15H,1,5-9H2,2-3H3
InChIKeyLDNLDVQRROCAGU-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.24
Rot. Bonds4

About 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol

2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol (PubChem CID 22914090) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol.

Molecular Properties

Compound Name2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol
PubChem CID22914090
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol
SMILESC=CCC(CO)C1CCC2CC1C2(C)C
InChIInChI=1S/C14H24O/c1-4-5-10(9-15)12-7-6-11-8-13(12)14(11,2)3/h4,10-13,15H,1,5-9H2,2-3H3
InChIKeyLDNLDVQRROCAGU-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol?
The IUPAC name of 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol (CID 22914090) is 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol.
What is the SMILES notation for 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol?
The canonical SMILES for 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol is C=CCC(CO)C1CCC2CC1C2(C)C.
What is the InChIKey of 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol?
The InChIKey is LDNLDVQRROCAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-5-10(9-15)12-7-6-11-8-13(12)14(11,2)3/h4,10-13,15H,1,5-9H2,2-3H3.
What are the key properties of 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol?
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)pent-4-en-1-ol is sourced from PubChem (CID 22914090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).