ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate

C15H24O3 — CID 6423119

IUPACethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate
SMILESC=C(C)CC(O)(CC(=C)C)C1CC1C(=O)OCC
InChIInChI=1S/C15H24O3/c1-6-18-14(16)12-7-13(12)15(17,8-10(2)3)9-11(4)5/h12-13,17H,2,4,6-9H2,1,3,5H3
InChIKeyBDYZFQLVFSDKHW-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.85
Rot. Bonds7

About ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate

ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate (PubChem CID 6423119) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate
PubChem CID6423119
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate
SMILESC=C(C)CC(O)(CC(=C)C)C1CC1C(=O)OCC
InChIInChI=1S/C15H24O3/c1-6-18-14(16)12-7-13(12)15(17,8-10(2)3)9-11(4)5/h12-13,17H,2,4,6-9H2,1,3,5H3
InChIKeyBDYZFQLVFSDKHW-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate (CID 6423119) is ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate is C=C(C)CC(O)(CC(=C)C)C1CC1C(=O)OCC.
What is the InChIKey of ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate?
The InChIKey is BDYZFQLVFSDKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-18-14(16)12-7-13(12)15(17,8-10(2)3)9-11(4)5/h12-13,17H,2,4,6-9H2,1,3,5H3.
What are the key properties of ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate?
ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate has a molecular weight of 252.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2,6-dimethylhepta-1,6-dien-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 6423119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).