7-methyl-3-propan-2-ylocta-1,6-diene

C12H22 — CID 59961464

IUPAC7-methyl-3-propan-2-ylocta-1,6-diene
SMILESC=CC(CCC=C(C)C)C(C)C
InChIInChI=1S/C12H22/c1-6-12(11(4)5)9-7-8-10(2)3/h6,8,11-12H,1,7,9H2,2-5H3
InChIKeyHAWBKFKFBKLIOK-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds5

About 7-methyl-3-propan-2-ylocta-1,6-diene

7-methyl-3-propan-2-ylocta-1,6-diene (PubChem CID 59961464) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 7-methyl-3-propan-2-ylocta-1,6-diene.

Molecular Properties

Compound Name7-methyl-3-propan-2-ylocta-1,6-diene
PubChem CID59961464
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name7-methyl-3-propan-2-ylocta-1,6-diene
SMILESC=CC(CCC=C(C)C)C(C)C
InChIInChI=1S/C12H22/c1-6-12(11(4)5)9-7-8-10(2)3/h6,8,11-12H,1,7,9H2,2-5H3
InChIKeyHAWBKFKFBKLIOK-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
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

5,9-dimethyldeca-1,8-diene
CID 12578605
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
3,7-dimethyl-2-propan-2-yloct-6-enenitrile
CID 86099595
2,4,8-trimethylnon-7-en-3-ol
CID 3015367
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
3,7-dimethyloct-6-enenitrile
CID 89052536
S-(6-methylhept-5-en-2-yl) ethanethioate
CID 10559479
(3S)-6,6,6-trifluoro-3-propan-2-ylhex-1-ene
CID 137420305
2,6-dimethylhept-5-enal
CID 158364508
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(6E)-10-ethenyl-2,6,13-trimethyltetradeca-2,6-diene
CID 140642313

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-ylocta-1,6-diene?
The IUPAC name of 7-methyl-3-propan-2-ylocta-1,6-diene (CID 59961464) is 7-methyl-3-propan-2-ylocta-1,6-diene.
What is the SMILES notation for 7-methyl-3-propan-2-ylocta-1,6-diene?
The canonical SMILES for 7-methyl-3-propan-2-ylocta-1,6-diene is C=CC(CCC=C(C)C)C(C)C.
What is the InChIKey of 7-methyl-3-propan-2-ylocta-1,6-diene?
The InChIKey is HAWBKFKFBKLIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-6-12(11(4)5)9-7-8-10(2)3/h6,8,11-12H,1,7,9H2,2-5H3.
What are the key properties of 7-methyl-3-propan-2-ylocta-1,6-diene?
7-methyl-3-propan-2-ylocta-1,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-ylocta-1,6-diene is sourced from PubChem (CID 59961464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).