2,6-dimethyl-4-propan-2-ylhept-3-ene

C12H24 — CID 123759712

IUPAC2,6-dimethyl-4-propan-2-ylhept-3-ene
SMILESCC(C)C=C(CC(C)C)C(C)C
InChIInChI=1S/C12H24/c1-9(2)7-12(11(5)6)8-10(3)4/h7,9-11H,8H2,1-6H3
InChIKeyXAAVPRUATGISNH-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds4

About 2,6-dimethyl-4-propan-2-ylhept-3-ene

2,6-dimethyl-4-propan-2-ylhept-3-ene (PubChem CID 123759712) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-propan-2-ylhept-3-ene.

Molecular Properties

Compound Name2,6-dimethyl-4-propan-2-ylhept-3-ene
PubChem CID123759712
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2,6-dimethyl-4-propan-2-ylhept-3-ene
SMILESCC(C)C=C(CC(C)C)C(C)C
InChIInChI=1S/C12H24/c1-9(2)7-12(11(5)6)8-10(3)4/h7,9-11H,8H2,1-6H3
InChIKeyXAAVPRUATGISNH-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
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

methane;(Z)-5-methyl-3-propan-2-ylhex-2-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(Z)-2,4,6-trimethylhept-3-ene;(E)-2,4,6-trimethylhept-3-ene
CID 162137230
2,7-dimethyl-4-propan-2-yloct-3-ene
CID 123373088
4-methyl-N,2-di(propan-2-yl)pent-2-en-1-amine
CID 79339268
(Z)-5-methyl-3-(2-methylpropyl)hex-3-enal
CID 58933338
[(Z)-2,5-dimethylhex-3-en-3-yl]cyclopropane;2,5-dimethylhex-3-yne;(E)-3-ethyl-2,5-dimethylhex-3-ene;(E)-5-methyl-3-propan-2-ylhex-2-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 162179995
2,6-dimethylhept-4-ene-1,4-diol
CID 173289430
(Z)-2,5-dimethylhex-3-en-3-ol
CID 59212039
4-ethylidene-2,6-dimethylheptane
CID 102206987
(E)-3,5-dimethylhex-3-en-2-one;methane;3-methylbutanoic acid
CID 161004203
4-methyl-2-oxopentanethial
CID 123620188
3-methylbutanethioyl chloride
CID 139604171
2,8-dimethylnonane-4,5,6-trione
CID 141143930

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propan-2-ylhept-3-ene?
The IUPAC name of 2,6-dimethyl-4-propan-2-ylhept-3-ene (CID 123759712) is 2,6-dimethyl-4-propan-2-ylhept-3-ene.
What is the SMILES notation for 2,6-dimethyl-4-propan-2-ylhept-3-ene?
The canonical SMILES for 2,6-dimethyl-4-propan-2-ylhept-3-ene is CC(C)C=C(CC(C)C)C(C)C.
What is the InChIKey of 2,6-dimethyl-4-propan-2-ylhept-3-ene?
The InChIKey is XAAVPRUATGISNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)7-12(11(5)6)8-10(3)4/h7,9-11H,8H2,1-6H3.
What are the key properties of 2,6-dimethyl-4-propan-2-ylhept-3-ene?
2,6-dimethyl-4-propan-2-ylhept-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propan-2-ylhept-3-ene is sourced from PubChem (CID 123759712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).