2-[(E)-prop-1-enoxy]cyclohexan-1-ol

C9H16O2 — CID 22617135

IUPAC2-[(E)-prop-1-enoxy]cyclohexan-1-ol
SMILESC/C=C/OC1CCCCC1O
InChIInChI=1S/C9H16O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,7-10H,3-6H2,1H3/b7-2+
InChIKeyXUIVOXFDQZYIJX-FARCUNLSSA-N
MW156.23 g/mol
LogP1.84
Rot. Bonds2

About 2-[(E)-prop-1-enoxy]cyclohexan-1-ol

2-[(E)-prop-1-enoxy]cyclohexan-1-ol (PubChem CID 22617135) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[(E)-prop-1-enoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(E)-prop-1-enoxy]cyclohexan-1-ol
PubChem CID22617135
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name2-[(E)-prop-1-enoxy]cyclohexan-1-ol
SMILESC/C=C/OC1CCCCC1O
InChIInChI=1S/C9H16O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,7-10H,3-6H2,1H3/b7-2+
InChIKeyXUIVOXFDQZYIJX-FARCUNLSSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxycycloheptyl) formate
CID 130142340
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
propyl 3-(2-hydroxycyclohexyl)oxyprop-2-enoate
CID 135383641
[(E)-prop-1-enoxy]cyclododecane
CID 5374044
prop-1-enoxycyclopropane
CID 68845032
2-cyclohexyloxycyclohexan-1-ol
CID 59475336
trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
CID 119031147
2-ethoxycyclooctan-1-ol
CID 18953000
ethane;2-methoxycyclopentan-1-ol
CID 177178786
cis-(1S,2R)-2-cyclohexyloxycyclohexan-1-ol
CID 92950752
2-(hydroxymethoxy)cyclohexan-1-ol
CID 67785185
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enoxy]cyclohexan-1-ol?
The IUPAC name of 2-[(E)-prop-1-enoxy]cyclohexan-1-ol (CID 22617135) is 2-[(E)-prop-1-enoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[(E)-prop-1-enoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[(E)-prop-1-enoxy]cyclohexan-1-ol is C/C=C/OC1CCCCC1O.
What is the InChIKey of 2-[(E)-prop-1-enoxy]cyclohexan-1-ol?
The InChIKey is XUIVOXFDQZYIJX-FARCUNLSSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,7-10H,3-6H2,1H3/b7-2+.
What are the key properties of 2-[(E)-prop-1-enoxy]cyclohexan-1-ol?
2-[(E)-prop-1-enoxy]cyclohexan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enoxy]cyclohexan-1-ol is sourced from PubChem (CID 22617135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).