2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol

C13H22O — CID 156535894

IUPAC2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol
SMILESOCCC1CCC2(C1)CC1CCC2C1
InChIInChI=1S/C13H22O/c14-6-4-10-3-5-13(8-10)9-11-1-2-12(13)7-11/h10-12,14H,1-9H2
InChIKeyVQOPVYVDKSNSEW-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.98
Rot. Bonds2

About 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol

2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol (PubChem CID 156535894) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol.

Molecular Properties

Compound Name2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol
PubChem CID156535894
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol
SMILESOCCC1CCC2(C1)CC1CCC2C1
InChIInChI=1S/C13H22O/c14-6-4-10-3-5-13(8-10)9-11-1-2-12(13)7-11/h10-12,14H,1-9H2
InChIKeyVQOPVYVDKSNSEW-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
2-(3,3-dimethylcyclopentyl)ethanol
CID 84648793
(1S,2S,4S)-2-(2-hydroxyethyl)bicyclo[2.2.1]heptan-2-ol
CID 130877530
(4S,5R,8R)-8-(2-hydroxyethyl)-4-methylspiro[4.4]nonan-2-one
CID 11084782
3-(2-methyl-2-bicyclo[2.2.1]heptanyl)propan-1-ol
CID 168807164
1-ethyl-3-(2-hydroxyethyl)cyclohexan-1-ol
CID 121279290
CID 163803280
CID 163803280
2,2-dihydroperoxybicyclo[2.2.1]heptane
CID 134965328
2-spiro[4.5]decan-8-ylethanol
CID 126844404
spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid
CID 70434375

Frequently Asked Questions

What is the IUPAC name of 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol?
The IUPAC name of 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol (CID 156535894) is 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol.
What is the SMILES notation for 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol?
The canonical SMILES for 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol is OCCC1CCC2(C1)CC1CCC2C1.
What is the InChIKey of 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol?
The InChIKey is VQOPVYVDKSNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c14-6-4-10-3-5-13(8-10)9-11-1-2-12(13)7-11/h10-12,14H,1-9H2.
What are the key properties of 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol?
2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol has a molecular weight of 194.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol is sourced from PubChem (CID 156535894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).