3-methylidene-5-propan-2-ylideneoct-1-ene

C12H20 — CID 18368536

IUPAC3-methylidene-5-propan-2-ylideneoct-1-ene
SMILESC=CC(=C)CC(CCC)=C(C)C
InChIInChI=1S/C12H20/c1-6-8-12(10(3)4)9-11(5)7-2/h7H,2,5-6,8-9H2,1,3-4H3
InChIKeyWOPKSNYSDDOVDT-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds5

About 3-methylidene-5-propan-2-ylideneoct-1-ene

3-methylidene-5-propan-2-ylideneoct-1-ene (PubChem CID 18368536) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-methylidene-5-propan-2-ylideneoct-1-ene.

Molecular Properties

Compound Name3-methylidene-5-propan-2-ylideneoct-1-ene
PubChem CID18368536
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3-methylidene-5-propan-2-ylideneoct-1-ene
SMILESC=CC(=C)CC(CCC)=C(C)C
InChIInChI=1S/C12H20/c1-6-8-12(10(3)4)9-11(5)7-2/h7H,2,5-6,8-9H2,1,3-4H3
InChIKeyWOPKSNYSDDOVDT-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
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

6-ethyl-7-methyl-3-methylidenedeca-1,6-diene
CID 54189290
1-(3-methylidenepent-4-enyl)-2-propylhydrazine
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3-methylidenepent-1-ene
CID 18850
3-methylidenetridec-1-ene
CID 3776253
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
2-methyl-6-methylideneocta-2,7-dien-4-one
CID 6430826
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
(E)-3-methyl-4-propyloct-3-ene
CID 57107532
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
10-methyl-9-propylicos-9-ene
CID 57290137
7-methyl-3-methylideneocta-1,6-diene
CID 173118544

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-propan-2-ylideneoct-1-ene?
The IUPAC name of 3-methylidene-5-propan-2-ylideneoct-1-ene (CID 18368536) is 3-methylidene-5-propan-2-ylideneoct-1-ene.
What is the SMILES notation for 3-methylidene-5-propan-2-ylideneoct-1-ene?
The canonical SMILES for 3-methylidene-5-propan-2-ylideneoct-1-ene is C=CC(=C)CC(CCC)=C(C)C.
What is the InChIKey of 3-methylidene-5-propan-2-ylideneoct-1-ene?
The InChIKey is WOPKSNYSDDOVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-8-12(10(3)4)9-11(5)7-2/h7H,2,5-6,8-9H2,1,3-4H3.
What are the key properties of 3-methylidene-5-propan-2-ylideneoct-1-ene?
3-methylidene-5-propan-2-ylideneoct-1-ene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-propan-2-ylideneoct-1-ene is sourced from PubChem (CID 18368536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).