2,7-dimethyl-4-propan-2-yloct-3-ene

C13H26 — CID 123373088

IUPAC2,7-dimethyl-4-propan-2-yloct-3-ene
SMILESCC(C)C=C(CCC(C)C)C(C)C
InChIInChI=1S/C13H26/c1-10(2)7-8-13(12(5)6)9-11(3)4/h9-12H,7-8H2,1-6H3
InChIKeyDRHFGVPLZZNICQ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds5

About 2,7-dimethyl-4-propan-2-yloct-3-ene

2,7-dimethyl-4-propan-2-yloct-3-ene (PubChem CID 123373088) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,7-dimethyl-4-propan-2-yloct-3-ene.

Molecular Properties

Compound Name2,7-dimethyl-4-propan-2-yloct-3-ene
PubChem CID123373088
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,7-dimethyl-4-propan-2-yloct-3-ene
SMILESCC(C)C=C(CCC(C)C)C(C)C
InChIInChI=1S/C13H26/c1-10(2)7-8-13(12(5)6)9-11(3)4/h9-12H,7-8H2,1-6H3
InChIKeyDRHFGVPLZZNICQ-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-propan-2-yloct-3-ene?
The IUPAC name of 2,7-dimethyl-4-propan-2-yloct-3-ene (CID 123373088) is 2,7-dimethyl-4-propan-2-yloct-3-ene.
What is the SMILES notation for 2,7-dimethyl-4-propan-2-yloct-3-ene?
The canonical SMILES for 2,7-dimethyl-4-propan-2-yloct-3-ene is CC(C)C=C(CCC(C)C)C(C)C.
What is the InChIKey of 2,7-dimethyl-4-propan-2-yloct-3-ene?
The InChIKey is DRHFGVPLZZNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-10(2)7-8-13(12(5)6)9-11(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 2,7-dimethyl-4-propan-2-yloct-3-ene?
2,7-dimethyl-4-propan-2-yloct-3-ene has a molecular weight of 182.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-propan-2-yloct-3-ene is sourced from PubChem (CID 123373088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).