(1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate

C19H30O2 — CID 88560410

IUPAC(1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate
SMILESC=C(C)C1CCC(C)(OC(=O)C(C=C(C)C)=C(C)C)CC1
InChIInChI=1S/C19H30O2/c1-13(2)12-17(15(5)6)18(20)21-19(7)10-8-16(9-11-19)14(3)4/h12,16H,3,8-11H2,1-2,4-7H3
InChIKeyFSHCSCUGJAYILF-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.36
Rot. Bonds4

About (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate

(1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate (PubChem CID 88560410) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate.

Molecular Properties

Compound Name(1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate
PubChem CID88560410
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate
SMILESC=C(C)C1CCC(C)(OC(=O)C(C=C(C)C)=C(C)C)CC1
InChIInChI=1S/C19H30O2/c1-13(2)12-17(15(5)6)18(20)21-19(7)10-8-16(9-11-19)14(3)4/h12,16H,3,8-11H2,1-2,4-7H3
InChIKeyFSHCSCUGJAYILF-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate?
The IUPAC name of (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate (CID 88560410) is (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate.
What is the SMILES notation for (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate?
The canonical SMILES for (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate is C=C(C)C1CCC(C)(OC(=O)C(C=C(C)C)=C(C)C)CC1.
What is the InChIKey of (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate?
The InChIKey is FSHCSCUGJAYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-13(2)12-17(15(5)6)18(20)21-19(7)10-8-16(9-11-19)14(3)4/h12,16H,3,8-11H2,1-2,4-7H3.
What are the key properties of (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate?
(1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate has a molecular weight of 290.45 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-prop-1-en-2-ylcyclohexyl) 4-methyl-2-propan-2-ylidenepent-3-enoate is sourced from PubChem (CID 88560410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).