1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol

C16H28O — CID 115840546

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
SMILESOC(C1CCCC1)C1CCC2CCCCC2C1
InChIInChI=1S/C16H28O/c17-16(13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)11-15/h12-17H,1-11H2
InChIKeyORJXLXWNYVMTPO-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.14
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol (PubChem CID 115840546) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
PubChem CID115840546
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
SMILESOC(C1CCCC1)C1CCC2CCCCC2C1
InChIInChI=1S/C16H28O/c17-16(13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)11-15/h12-17H,1-11H2
InChIKeyORJXLXWNYVMTPO-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
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CID 65410347
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CID 104994252
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine
CID 105004863
2,4-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,5-dibromopentan-3-one
CID 174464097
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol (CID 115840546) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol is OC(C1CCCC1)C1CCC2CCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol?
The InChIKey is ORJXLXWNYVMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c17-16(13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)11-15/h12-17H,1-11H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol has a molecular weight of 236.40 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol is sourced from PubChem (CID 115840546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).