(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol

C12H22O — CID 68744336

IUPAC(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
SMILESCC1CCCC2(CO)CCCCC12
InChIInChI=1S/C12H22O/c1-10-5-4-8-12(9-13)7-3-2-6-11(10)12/h10-11,13H,2-9H2,1H3
InChIKeyRFSZRTQTCUAIDJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.98
Rot. Bonds1

About (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol

(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol (PubChem CID 68744336) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol.

Molecular Properties

Compound Name(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
PubChem CID68744336
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol
SMILESCC1CCCC2(CO)CCCCC12
InChIInChI=1S/C12H22O/c1-10-5-4-8-12(9-13)7-3-2-6-11(10)12/h10-11,13H,2-9H2,1H3
InChIKeyRFSZRTQTCUAIDJ-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol?
The IUPAC name of (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol (CID 68744336) is (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol.
What is the SMILES notation for (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol?
The canonical SMILES for (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol is CC1CCCC2(CO)CCCCC12.
What is the InChIKey of (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol?
The InChIKey is RFSZRTQTCUAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10-5-4-8-12(9-13)7-3-2-6-11(10)12/h10-11,13H,2-9H2,1H3.
What are the key properties of (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol?
(1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol has a molecular weight of 182.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)methanol is sourced from PubChem (CID 68744336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).