5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol

C16H28O2 — CID 162994013

IUPAC5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
SMILESC=C1CCC(O)C2(C)CCCC(C(O)C(C)C)C12
InChIInChI=1S/C16H28O2/c1-10(2)15(18)12-6-5-9-16(4)13(17)8-7-11(3)14(12)16/h10,12-15,17-18H,3,5-9H2,1-2,4H3
InChIKeySCGZRCRARKQYRA-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.14
Rot. Bonds2

About 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol

5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol (PubChem CID 162994013) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
PubChem CID162994013
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol
SMILESC=C1CCC(O)C2(C)CCCC(C(O)C(C)C)C12
InChIInChI=1S/C16H28O2/c1-10(2)15(18)12-6-5-9-16(4)13(17)8-7-11(3)14(12)16/h10,12-15,17-18H,3,5-9H2,1-2,4H3
InChIKeySCGZRCRARKQYRA-UHFFFAOYSA-N
XLogP3.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol?
The IUPAC name of 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol (CID 162994013) is 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol.
What is the SMILES notation for 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol?
The canonical SMILES for 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol is C=C1CCC(O)C2(C)CCCC(C(O)C(C)C)C12.
What is the InChIKey of 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol?
The InChIKey is SCGZRCRARKQYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-10(2)15(18)12-6-5-9-16(4)13(17)8-7-11(3)14(12)16/h10,12-15,17-18H,3,5-9H2,1-2,4H3.
What are the key properties of 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol?
5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-methylpropyl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-ol is sourced from PubChem (CID 162994013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).