(1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene

C11H18 — CID 20800792

IUPAC(1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene
SMILESCC(C)C1/C=C\CCC/C=C\1
InChIInChI=1S/C11H18/c1-10(2)11-8-6-4-3-5-7-9-11/h6-11H,3-5H2,1-2H3/b8-6-,9-7-
InChIKeyWIQDJRDERPBCKG-VRHVFUOLSA-N
MW150.27 g/mol
LogP3.55
Rot. Bonds1

About (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene

(1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene (PubChem CID 20800792) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene.

Molecular Properties

Compound Name(1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene
PubChem CID20800792
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name(1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene
SMILESCC(C)C1/C=C\CCC/C=C\1
InChIInChI=1S/C11H18/c1-10(2)11-8-6-4-3-5-7-9-11/h6-11H,3-5H2,1-2H3/b8-6-,9-7-
InChIKeyWIQDJRDERPBCKG-VRHVFUOLSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.55
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-propan-2-yl-4H-pyridine
CID 163719496
methanol;3-methylcyclohexene;propan-2-ol
CID 142978987
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
9-propan-2-ylcyclododeca-1,5-diene
CID 54254739
3-(2-methylpropyl)cycloheptene
CID 54543527
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
CID 54375477
1-cyclohex-2-en-1-yloxyethanol
CID 143838832
3-[(2S)-2,3-dimethylbutyl]cyclohexene
CID 163836569
tri(cyclohex-2-en-1-yl)phosphane
CID 154370518
ethane;3-methylcyclohexene
CID 145337562
8-propan-2-ylbicyclo[3.2.1]oct-6-ene
CID 155648026

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene?
The IUPAC name of (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene (CID 20800792) is (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene.
What is the SMILES notation for (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene?
The canonical SMILES for (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene is CC(C)C1/C=C\CCC/C=C\1.
What is the InChIKey of (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene?
The InChIKey is WIQDJRDERPBCKG-VRHVFUOLSA-N. The full InChI is InChI=1S/C11H18/c1-10(2)11-8-6-4-3-5-7-9-11/h6-11H,3-5H2,1-2H3/b8-6-,9-7-.
What are the key properties of (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene?
(1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene has a molecular weight of 150.27 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene is sourced from PubChem (CID 20800792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).