2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol

C15H24O2 — CID 14165818

IUPAC2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
SMILESC=C1CCCC2(C)CCC(O)(C(=C)CO)CC12
InChIInChI=1S/C15H24O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h13,16-17H,1-2,4-10H2,3H3
InChIKeySDWGOFYIBUYAQT-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.81
Rot. Bonds2

About 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol

2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol (PubChem CID 14165818) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
PubChem CID14165818
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
SMILESC=C1CCCC2(C)CCC(O)(C(=C)CO)CC12
InChIInChI=1S/C15H24O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h13,16-17H,1-2,4-10H2,3H3
InChIKeySDWGOFYIBUYAQT-UHFFFAOYSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol (CID 14165818) is 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol is C=C1CCCC2(C)CCC(O)(C(=C)CO)CC12.
What is the InChIKey of 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol?
The InChIKey is SDWGOFYIBUYAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h13,16-17H,1-2,4-10H2,3H3.
What are the key properties of 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol?
2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol has a molecular weight of 236.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 14165818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).