(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene

C12H20 — CID 143963935

IUPAC(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene
SMILESC=C/C=C(\C(=C)C(C)C)C(C)C
InChIInChI=1S/C12H20/c1-7-8-12(10(4)5)11(6)9(2)3/h7-10H,1,6H2,2-5H3/b12-8-
InChIKeyHVUSNSCTHAVCFV-WQLSENKSSA-N
MW164.29 g/mol
LogP3.97
Rot. Bonds4

About (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene

(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene (PubChem CID 143963935) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene
PubChem CID143963935
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene
SMILESC=C/C=C(\C(=C)C(C)C)C(C)C
InChIInChI=1S/C12H20/c1-7-8-12(10(4)5)11(6)9(2)3/h7-10H,1,6H2,2-5H3/b12-8-
InChIKeyHVUSNSCTHAVCFV-WQLSENKSSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene?
The IUPAC name of (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene (CID 143963935) is (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene.
What is the SMILES notation for (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene?
The canonical SMILES for (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene is C=C/C=C(\C(=C)C(C)C)C(C)C.
What is the InChIKey of (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene?
The InChIKey is HVUSNSCTHAVCFV-WQLSENKSSA-N. The full InChI is InChI=1S/C12H20/c1-7-8-12(10(4)5)11(6)9(2)3/h7-10H,1,6H2,2-5H3/b12-8-.
What are the key properties of (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene?
(3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-5-methylidene-4-propan-2-ylhepta-1,3-diene is sourced from PubChem (CID 143963935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).