6,6-dimethyl-4-propylhept-1-ene

C12H24 — CID 123561770

IUPAC6,6-dimethyl-4-propylhept-1-ene
SMILESC=CCC(CCC)CC(C)(C)C
InChIInChI=1S/C12H24/c1-6-8-11(9-7-2)10-12(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyGNNISQKYTVRDPK-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 6,6-dimethyl-4-propylhept-1-ene

6,6-dimethyl-4-propylhept-1-ene (PubChem CID 123561770) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 6,6-dimethyl-4-propylhept-1-ene.

Molecular Properties

Compound Name6,6-dimethyl-4-propylhept-1-ene
PubChem CID123561770
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name6,6-dimethyl-4-propylhept-1-ene
SMILESC=CCC(CCC)CC(C)(C)C
InChIInChI=1S/C12H24/c1-6-8-11(9-7-2)10-12(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyGNNISQKYTVRDPK-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
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

2,2,6,6-tetramethyl-4-propylheptane
CID 57492954
2-propylpent-4-en-1-ol
CID 15525342
(2R)-2-propylpent-4-en-1-ol
CID 102443891
4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
2-fluoro-5-propylocta-1,7-diene
CID 167182479
4-(bromomethyl)-7,7-dimethyloct-1-ene
CID 165442984
(4S)-4-ethyloct-1-ene
CID 129373406
4-prop-2-enylpentadec-1-ene
CID 54427529
17-prop-2-enyltetratriacontane
CID 173452630
ethene;4-ethylhex-1-ene
CID 159399050
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
6,8,8-trimethylnon-1-en-4-amine
CID 115813808

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-propylhept-1-ene?
The IUPAC name of 6,6-dimethyl-4-propylhept-1-ene (CID 123561770) is 6,6-dimethyl-4-propylhept-1-ene.
What is the SMILES notation for 6,6-dimethyl-4-propylhept-1-ene?
The canonical SMILES for 6,6-dimethyl-4-propylhept-1-ene is C=CCC(CCC)CC(C)(C)C.
What is the InChIKey of 6,6-dimethyl-4-propylhept-1-ene?
The InChIKey is GNNISQKYTVRDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-8-11(9-7-2)10-12(3,4)5/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 6,6-dimethyl-4-propylhept-1-ene?
6,6-dimethyl-4-propylhept-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-propylhept-1-ene is sourced from PubChem (CID 123561770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).