2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol

C15H26O — CID 3010316

IUPAC2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol
SMILESCC(C)(O)C1CCC2(C)CCCC3CC32C1
InChIInChI=1S/C15H26O/c1-13(2,16)11-6-8-14(3)7-4-5-12-10-15(12,14)9-11/h11-12,16H,4-10H2,1-3H3
InChIKeyDRZJMHNJQWFIES-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds1

About 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol

2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol (PubChem CID 3010316) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol
PubChem CID3010316
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol
SMILESCC(C)(O)C1CCC2(C)CCCC3CC32C1
InChIInChI=1S/C15H26O/c1-13(2,16)11-6-8-14(3)7-4-5-12-10-15(12,14)9-11/h11-12,16H,4-10H2,1-3H3
InChIKeyDRZJMHNJQWFIES-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol?
The IUPAC name of 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol (CID 3010316) is 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol.
What is the SMILES notation for 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol?
The canonical SMILES for 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol is CC(C)(O)C1CCC2(C)CCCC3CC32C1.
What is the InChIKey of 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol?
The InChIKey is DRZJMHNJQWFIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2,16)11-6-8-14(3)7-4-5-12-10-15(12,14)9-11/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol?
2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol is sourced from PubChem (CID 3010316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).