4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol

C14H24O3 — CID 134981646

IUPAC4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol
SMILESC=C(C1C=CC(O)CCC1)C(OCC)OCC
InChIInChI=1S/C14H24O3/c1-4-16-14(17-5-2)11(3)12-7-6-8-13(15)10-9-12/h9-10,12-15H,3-8H2,1-2H3
InChIKeyNQDSLCYONPEHAC-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.66
Rot. Bonds6

About 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol

4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol (PubChem CID 134981646) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol
PubChem CID134981646
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol
SMILESC=C(C1C=CC(O)CCC1)C(OCC)OCC
InChIInChI=1S/C14H24O3/c1-4-16-14(17-5-2)11(3)12-7-6-8-13(15)10-9-12/h9-10,12-15H,3-8H2,1-2H3
InChIKeyNQDSLCYONPEHAC-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cespihypotin Q
CID 25178965
(1S,3E,5R,10S,14S)-1,14-dimethoxy-3,17,17-trimethyl-7-methylidene-15-oxatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-5-ol
CID 163018465
[(3R,4R)-3-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
CID 71605960
4-Butyl-5-cyclohexyl-2,5-dihydrofuran-2-ol
CID 134890243
2-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol
CID 134901618
2-(3,3-Diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol
CID 134901645
4-(3,3-Diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol
CID 134981038
4-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-2-en-1-ol
CID 134981319
3-(4-Hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol
CID 135049829
[(3S,4S)-3-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
CID 162415916
(E,E)-8,8-Bis((3,7-dimethyl-2,6-octadienyl)oxy)-2,6-dimethyloctan-2-ol
CID 6366339
(1R,3Z,5S,10R,14R)-1,14-dimethoxy-3,17,17-trimethyl-7-methylidene-15-oxatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-5-ol
CID 102279612

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol?
The IUPAC name of 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol (CID 134981646) is 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol.
What is the SMILES notation for 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol?
The canonical SMILES for 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol is C=C(C1C=CC(O)CCC1)C(OCC)OCC.
What is the InChIKey of 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol?
The InChIKey is NQDSLCYONPEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-16-14(17-5-2)11(3)12-7-6-8-13(15)10-9-12/h9-10,12-15H,3-8H2,1-2H3.
What are the key properties of 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol?
4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol has a molecular weight of 240.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol is sourced from PubChem (CID 134981646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).