(1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene

C12H18 — CID 12536962

IUPAC(1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene
SMILESC/C1=C/CC/C(C2CC2)=C\CC1
InChIInChI=1S/C12H18/c1-10-4-2-6-11(7-3-5-10)12-8-9-12/h4,7,12H,2-3,5-6,8-9H2,1H3/b10-4-,11-7+
InChIKeyNLKPPZFANIVPLJ-NQEAYRSNSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds1

About (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene

(1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene (PubChem CID 12536962) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene
PubChem CID12536962
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene
SMILESC/C1=C/CC/C(C2CC2)=C\CC1
InChIInChI=1S/C12H18/c1-10-4-2-6-11(7-3-5-10)12-8-9-12/h4,7,12H,2-3,5-6,8-9H2,1H3/b10-4-,11-7+
InChIKeyNLKPPZFANIVPLJ-NQEAYRSNSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
alpha-Bisabolene
CID 86597
(+)-germacrene A
CID 9548705
2,6-Dimethyl-2-octene
CID 19974
alpha-Bisabolene, (E)-
CID 5315468
Germacrene A
CID 5835162
(-)-beta-Curcumene
CID 14014430
(Z)-alpha-Bisabolene
CID 5352653
(E,R)-alpha-bisabolene
CID 13252682
Sylvestrene
CID 12304570

Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene?
The IUPAC name of (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene (CID 12536962) is (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene.
What is the SMILES notation for (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene?
The canonical SMILES for (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene is C/C1=C/CC/C(C2CC2)=C\CC1.
What is the InChIKey of (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene?
The InChIKey is NLKPPZFANIVPLJ-NQEAYRSNSA-N. The full InChI is InChI=1S/C12H18/c1-10-4-2-6-11(7-3-5-10)12-8-9-12/h4,7,12H,2-3,5-6,8-9H2,1H3/b10-4-,11-7+.
What are the key properties of (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene?
(1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z)-1-cyclopropyl-5-methylcycloocta-1,5-diene is sourced from PubChem (CID 12536962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).