(3Z)-6-methylideneocta-1,3-diene

C9H14 — CID 170732271

IUPAC(3Z)-6-methylideneocta-1,3-diene
SMILESC=C/C=C\CC(=C)CC
InChIInChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h4,6-7H,1,3,5,8H2,2H3/b7-6-
InChIKeyTYBKPVKIPGPPAG-SREVYHEPSA-N
MW122.21 g/mol
LogP3.08
Rot. Bonds4

About (3Z)-6-methylideneocta-1,3-diene

(3Z)-6-methylideneocta-1,3-diene (PubChem CID 170732271) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (3Z)-6-methylideneocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-6-methylideneocta-1,3-diene
PubChem CID170732271
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(3Z)-6-methylideneocta-1,3-diene
SMILESC=C/C=C\CC(=C)CC
InChIInChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h4,6-7H,1,3,5,8H2,2H3/b7-6-
InChIKeyTYBKPVKIPGPPAG-SREVYHEPSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
CID 178113371
butane;ethane;(4Z)-hepta-4,6-dien-2-one
CID 142062116
ethyl hexa-3,5-dienoate
CID 54153384
3-methyl-8-methylidenedec-5-ene
CID 123575527
(3E)-N-ethylhexa-3,5-dienamide
CID 155482476
cobalt;hexa-1,3-diene
CID 174676950
ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene
CID 142891665
ethane-1,2-diol;(3E)-hexa-1,3-diene
CID 87937572
hexa-1,3-diene;4-methylidenehex-2-ene
CID 174375907
(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
(3Z,6Z)-7-methylnona-1,3,6-triene
CID 143723306
N,N-diethylpenta-2,4-dien-1-amine
CID 73447905

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methylideneocta-1,3-diene?
The IUPAC name of (3Z)-6-methylideneocta-1,3-diene (CID 170732271) is (3Z)-6-methylideneocta-1,3-diene.
What is the SMILES notation for (3Z)-6-methylideneocta-1,3-diene?
The canonical SMILES for (3Z)-6-methylideneocta-1,3-diene is C=C/C=C\CC(=C)CC.
What is the InChIKey of (3Z)-6-methylideneocta-1,3-diene?
The InChIKey is TYBKPVKIPGPPAG-SREVYHEPSA-N. The full InChI is InChI=1S/C9H14/c1-4-6-7-8-9(3)5-2/h4,6-7H,1,3,5,8H2,2H3/b7-6-.
What are the key properties of (3Z)-6-methylideneocta-1,3-diene?
(3Z)-6-methylideneocta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methylideneocta-1,3-diene is sourced from PubChem (CID 170732271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).