cyclooctyl(cyclopropyl)methanol

C12H22O — CID 80603317

IUPACcyclooctyl(cyclopropyl)methanol
SMILESOC(C1CCCCCCC1)C1CC1
InChIInChI=1S/C12H22O/c13-12(11-8-9-11)10-6-4-2-1-3-5-7-10/h10-13H,1-9H2
InChIKeyDAIZIXHDRKHQBE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds2

About cyclooctyl(cyclopropyl)methanol

cyclooctyl(cyclopropyl)methanol (PubChem CID 80603317) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is cyclooctyl(cyclopropyl)methanol.

Molecular Properties

Compound Namecyclooctyl(cyclopropyl)methanol
PubChem CID80603317
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namecyclooctyl(cyclopropyl)methanol
SMILESOC(C1CCCCCCC1)C1CC1
InChIInChI=1S/C12H22O/c13-12(11-8-9-11)10-6-4-2-1-3-5-7-10/h10-13H,1-9H2
InChIKeyDAIZIXHDRKHQBE-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
CID 115840546
cyclopentyl(piperidin-4-yl)methanol
CID 54333800
cyclohexyl-(4-pentylcyclohexyl)methanol
CID 141212039
cyclopentyl-(3-ethylcyclopentyl)methanol
CID 65410347
cyclopentyl(piperidin-3-yl)methanol
CID 80560291
(R)-cyclohexyl-[(1R)-2,2-dimethylcyclopropyl]methanol
CID 101342425
cyclohexyl-(2-methylidenecyclopropyl)methanol
CID 10442056
CID 59303636
CID 59303636
(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol
CID 135062102

Frequently Asked Questions

What is the IUPAC name of cyclooctyl(cyclopropyl)methanol?
The IUPAC name of cyclooctyl(cyclopropyl)methanol (CID 80603317) is cyclooctyl(cyclopropyl)methanol.
What is the SMILES notation for cyclooctyl(cyclopropyl)methanol?
The canonical SMILES for cyclooctyl(cyclopropyl)methanol is OC(C1CCCCCCC1)C1CC1.
What is the InChIKey of cyclooctyl(cyclopropyl)methanol?
The InChIKey is DAIZIXHDRKHQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c13-12(11-8-9-11)10-6-4-2-1-3-5-7-10/h10-13H,1-9H2.
What are the key properties of cyclooctyl(cyclopropyl)methanol?
cyclooctyl(cyclopropyl)methanol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl(cyclopropyl)methanol is sourced from PubChem (CID 80603317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).