3,4-diethyl-2,6-dimethylhept-1-ene

C13H26 — CID 123692241

IUPAC3,4-diethyl-2,6-dimethylhept-1-ene
SMILESC=C(C)C(CC)C(CC)CC(C)C
InChIInChI=1S/C13H26/c1-7-12(9-10(3)4)13(8-2)11(5)6/h10,12-13H,5,7-9H2,1-4,6H3
InChIKeyPDLSKQQQFNPZOG-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds6

About 3,4-diethyl-2,6-dimethylhept-1-ene

3,4-diethyl-2,6-dimethylhept-1-ene (PubChem CID 123692241) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 3,4-diethyl-2,6-dimethylhept-1-ene.

Molecular Properties

Compound Name3,4-diethyl-2,6-dimethylhept-1-ene
PubChem CID123692241
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name3,4-diethyl-2,6-dimethylhept-1-ene
SMILESC=C(C)C(CC)C(CC)CC(C)C
InChIInChI=1S/C13H26/c1-7-12(9-10(3)4)13(8-2)11(5)6/h10,12-13H,5,7-9H2,1-4,6H3
InChIKeyPDLSKQQQFNPZOG-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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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Related Compounds

3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
CID 123194726
5-(2-methylpent-1-en-3-yl)undecane
CID 123769416
6-ethyl-2,4,5,8-tetramethylnon-2-ene
CID 123866412
(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol
CID 10858039
5-ethyl-2,3,4,7-tetramethyloctane
CID 57492474
3-(chloromethyl)-2,4-dimethylpent-1-ene
CID 169183451
6-ethyl-2-methyl-4-pentan-3-yloctane
CID 123821034
methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate
CID 10844880
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
2,3-dimethylpent-1-ene;ethane
CID 143286891

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2,6-dimethylhept-1-ene?
The IUPAC name of 3,4-diethyl-2,6-dimethylhept-1-ene (CID 123692241) is 3,4-diethyl-2,6-dimethylhept-1-ene.
What is the SMILES notation for 3,4-diethyl-2,6-dimethylhept-1-ene?
The canonical SMILES for 3,4-diethyl-2,6-dimethylhept-1-ene is C=C(C)C(CC)C(CC)CC(C)C.
What is the InChIKey of 3,4-diethyl-2,6-dimethylhept-1-ene?
The InChIKey is PDLSKQQQFNPZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-7-12(9-10(3)4)13(8-2)11(5)6/h10,12-13H,5,7-9H2,1-4,6H3.
What are the key properties of 3,4-diethyl-2,6-dimethylhept-1-ene?
3,4-diethyl-2,6-dimethylhept-1-ene has a molecular weight of 182.35 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2,6-dimethylhept-1-ene is sourced from PubChem (CID 123692241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).