2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol

C13H22O3 — CID 134901618

IUPAC2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol
SMILESC=C(C(OCC)OCC)C1C=CCCC1O
InChIInChI=1S/C13H22O3/c1-4-15-13(16-5-2)10(3)11-8-6-7-9-12(11)14/h6,8,11-14H,3-5,7,9H2,1-2H3
InChIKeyHHZWPZNJEOBBMJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.27
Rot. Bonds6

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

2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol (PubChem CID 134901618) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol
PubChem CID134901618
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol
SMILESC=C(C(OCC)OCC)C1C=CCCC1O
InChIInChI=1S/C13H22O3/c1-4-15-13(16-5-2)10(3)11-8-6-7-9-12(11)14/h6,8,11-14H,3-5,7,9H2,1-2H3
InChIKeyHHZWPZNJEOBBMJ-UHFFFAOYSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.27
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

(2S,3S,3aR,4S,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-ol
CID 162928645
(2S,3aS,6Z,10E,11aS)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
CID 162981569
(2S,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
CID 163191300
(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
CID 10331368
2-(3,3-Diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol
CID 134901645
2-(3,3-Diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol
CID 134901682
4-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-2-en-1-ol
CID 134981319
4-(3,3-Diethoxyprop-1-en-2-yl)cyclohept-2-en-1-ol
CID 134981646
(E,1S,2S)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
CID 134992868
Uzswgglsrlidlq-uhfffaoysa-
CID 23241129
2-Methoxy-2,3,3a,6,7,7a-hexahydro-1-benzofuran-6-ol
CID 21546780
3,7-Dimethyl-4-[(1-ethoxyethoxy)]-6-octen-1-ol
CID 23341452

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol?
The IUPAC name of 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol (CID 134901618) is 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol is C=C(C(OCC)OCC)C1C=CCCC1O.
What is the InChIKey of 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol?
The InChIKey is HHZWPZNJEOBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-4-15-13(16-5-2)10(3)11-8-6-7-9-12(11)14/h6,8,11-14H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol?
2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 134901618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).