(4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene

C17H26O — CID 135062659

IUPAC(4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene
SMILESC=CCO/C=C1/CCC(CCC=C(C)C)=CC1C
InChIInChI=1S/C17H26O/c1-5-11-18-13-17-10-9-16(12-15(17)4)8-6-7-14(2)3/h5,7,12-13,15H,1,6,8-11H2,2-4H3/b17-13-
InChIKeyDIDYSGKCBTUKQE-LGMDPLHJSA-N
MW246.39 g/mol
LogP5.18
Rot. Bonds6

About (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene

(4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene (PubChem CID 135062659) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene.

Molecular Properties

Compound Name(4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene
PubChem CID135062659
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene
SMILESC=CCO/C=C1/CCC(CCC=C(C)C)=CC1C
InChIInChI=1S/C17H26O/c1-5-11-18-13-17-10-9-16(12-15(17)4)8-6-7-14(2)3/h5,7,12-13,15H,1,6,8-11H2,2-4H3/b17-13-
InChIKeyDIDYSGKCBTUKQE-LGMDPLHJSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene?
The IUPAC name of (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene (CID 135062659) is (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene.
What is the SMILES notation for (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene?
The canonical SMILES for (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene is C=CCO/C=C1/CCC(CCC=C(C)C)=CC1C.
What is the InChIKey of (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene?
The InChIKey is DIDYSGKCBTUKQE-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H26O/c1-5-11-18-13-17-10-9-16(12-15(17)4)8-6-7-14(2)3/h5,7,12-13,15H,1,6,8-11H2,2-4H3/b17-13-.
What are the key properties of (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene?
(4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene has a molecular weight of 246.39 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-methyl-1-(4-methylpent-3-enyl)-4-(prop-2-enoxymethylidene)cyclohexene is sourced from PubChem (CID 135062659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).