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

C14H24O3 — CID 134901645

IUPAC2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol
SMILESC=C(C(OCC)OCC)C1C=CCCCC1O
InChIInChI=1S/C14H24O3/c1-4-16-14(17-5-2)11(3)12-9-7-6-8-10-13(12)15/h7,9,12-15H,3-6,8,10H2,1-2H3
InChIKeyOHECFFQFUVHGBS-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.66
Rot. Bonds6

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

2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol (PubChem CID 134901645) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol.

Molecular Properties

Compound Name2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol
PubChem CID134901645
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol
SMILESC=C(C(OCC)OCC)C1C=CCCCC1O
InChIInChI=1S/C14H24O3/c1-4-16-14(17-5-2)11(3)12-9-7-6-8-10-13(12)15/h7,9,12-15H,3-6,8,10H2,1-2H3
InChIKeyOHECFFQFUVHGBS-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol?
The IUPAC name of 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol (CID 134901645) is 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol.
What is the SMILES notation for 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol?
The canonical SMILES for 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol is C=C(C(OCC)OCC)C1C=CCCCC1O.
What is the InChIKey of 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol?
The InChIKey is OHECFFQFUVHGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-16-14(17-5-2)11(3)12-9-7-6-8-10-13(12)15/h7,9,12-15H,3-6,8,10H2,1-2H3.
What are the key properties of 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol?
2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-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 2-(3,3-diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol is sourced from PubChem (CID 134901645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).