(2-hydroxycycloheptyl) formate

C8H14O3 — CID 130142340

IUPAC(2-hydroxycycloheptyl) formate
SMILESO=COC1CCCCCC1O
InChIInChI=1S/C8H14O3/c9-6-11-8-5-3-1-2-4-7(8)10/h6-8,10H,1-5H2
InChIKeyLIBXGODUAXOHIA-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.85
Rot. Bonds2

About (2-hydroxycycloheptyl) formate

(2-hydroxycycloheptyl) formate (PubChem CID 130142340) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2-hydroxycycloheptyl) formate.

Molecular Properties

Compound Name(2-hydroxycycloheptyl) formate
PubChem CID130142340
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2-hydroxycycloheptyl) formate
SMILESO=COC1CCCCCC1O
InChIInChI=1S/C8H14O3/c9-6-11-8-5-3-1-2-4-7(8)10/h6-8,10H,1-5H2
InChIKeyLIBXGODUAXOHIA-UHFFFAOYSA-N
XLogP0.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-prop-1-enoxy]cyclohexan-1-ol
CID 22617135
[(1S,2S)-2-aminocyclohexyl] formate
CID 87077504
[(1R,2S)-2-methylcyclohexyl] formate
CID 18611348
cyclononyl formate
CID 87065625
(2-acetylsulfanylcyclohexyl) formate
CID 57026071
cis-(1S,2R)-2-cyclohexyloxycyclohexan-1-ol
CID 92950752
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
trans-(1R,2R)-2-cyclohexyloxycyclopentan-1-ol
CID 131704149
(2-phenylcyclohexyl) formate
CID 87286934
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
3,5-difluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 79891467

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycycloheptyl) formate?
The IUPAC name of (2-hydroxycycloheptyl) formate (CID 130142340) is (2-hydroxycycloheptyl) formate.
What is the SMILES notation for (2-hydroxycycloheptyl) formate?
The canonical SMILES for (2-hydroxycycloheptyl) formate is O=COC1CCCCCC1O.
What is the InChIKey of (2-hydroxycycloheptyl) formate?
The InChIKey is LIBXGODUAXOHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-6-11-8-5-3-1-2-4-7(8)10/h6-8,10H,1-5H2.
What are the key properties of (2-hydroxycycloheptyl) formate?
(2-hydroxycycloheptyl) formate has a molecular weight of 158.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycycloheptyl) formate is sourced from PubChem (CID 130142340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).