(1S,2S)-2-ethoxycyclohept-4-en-1-ol

C9H16O2 — CID 54671938

IUPAC(1S,2S)-2-ethoxycyclohept-4-en-1-ol
SMILESCCO[C@H]1CC=CCC[C@@H]1O
InChIInChI=1S/C9H16O2/c1-2-11-9-7-5-3-4-6-8(9)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9-/m0/s1
InChIKeyFZVDUZTWONHIHV-IUCAKERBSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds2

About (1S,2S)-2-ethoxycyclohept-4-en-1-ol

(1S,2S)-2-ethoxycyclohept-4-en-1-ol (PubChem CID 54671938) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1S,2S)-2-ethoxycyclohept-4-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-ethoxycyclohept-4-en-1-ol
PubChem CID54671938
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1S,2S)-2-ethoxycyclohept-4-en-1-ol
SMILESCCO[C@H]1CC=CCC[C@@H]1O
InChIInChI=1S/C9H16O2/c1-2-11-9-7-5-3-4-6-8(9)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9-/m0/s1
InChIKeyFZVDUZTWONHIHV-IUCAKERBSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxycyclooctan-1-ol
CID 18953000
[(1S,4Z,8S)-8-acetyloxycyclooct-4-en-1-yl] acetate
CID 10867992
diethyl cyclohept-4-ene-1,2-dicarboxylate
CID 66930380
(3S,4S)-3-ethoxy-1-methylazepan-4-ol
CID 170715059
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
4-methylcyclohexene;propane
CID 143195942
ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride
CID 172641060
(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
CID 118659504
ethyl bicyclo[6.1.0]non-4-ene-9-carboxylate
CID 77425654
(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane
CID 118346921
ethyl 3-cyclohex-3-en-1-yl-3-oxopropanoate
CID 102362689
[(1S,5S)-5-ethoxycyclopent-2-en-1-yl]methyl methanesulfonate
CID 101108832

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-ethoxycyclohept-4-en-1-ol?
The IUPAC name of (1S,2S)-2-ethoxycyclohept-4-en-1-ol (CID 54671938) is (1S,2S)-2-ethoxycyclohept-4-en-1-ol.
What is the SMILES notation for (1S,2S)-2-ethoxycyclohept-4-en-1-ol?
The canonical SMILES for (1S,2S)-2-ethoxycyclohept-4-en-1-ol is CCO[C@H]1CC=CCC[C@@H]1O.
What is the InChIKey of (1S,2S)-2-ethoxycyclohept-4-en-1-ol?
The InChIKey is FZVDUZTWONHIHV-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-11-9-7-5-3-4-6-8(9)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (1S,2S)-2-ethoxycyclohept-4-en-1-ol?
(1S,2S)-2-ethoxycyclohept-4-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-ethoxycyclohept-4-en-1-ol is sourced from PubChem (CID 54671938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).