3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene

C14H28 — CID 123194726

IUPAC3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
SMILESC=C(C)C(CC)C(CC(C)C)C(C)C
InChIInChI=1S/C14H28/c1-8-13(11(4)5)14(12(6)7)9-10(2)3/h10,12-14H,4,8-9H2,1-3,5-7H3
InChIKeyNNQKGEDGJBRHMV-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.91
Rot. Bonds6

About 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene

3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene (PubChem CID 123194726) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene.

Molecular Properties

Compound Name3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
PubChem CID123194726
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene
SMILESC=C(C)C(CC)C(CC(C)C)C(C)C
InChIInChI=1S/C14H28/c1-8-13(11(4)5)14(12(6)7)9-10(2)3/h10,12-14H,4,8-9H2,1-3,5-7H3
InChIKeyNNQKGEDGJBRHMV-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethyl-2,6-dimethylhept-1-ene
CID 123692241
3-(chloromethyl)-2,4-dimethylpent-1-ene
CID 169183451
acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene
CID 163218839
4-ethyl-2,3-dimethylhexa-1,5-diene
CID 54442334
(4S,5R)-2-methyl-4-prop-1-en-2-yltridecan-5-ol
CID 10858039
methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate
CID 10844880
3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
ethane;3-ethyl-4-methylpent-1-en-2-amine
CID 143289250
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
2,3-dimethylpent-1-ene;ethane
CID 143286891
2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene
CID 123699260

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene?
The IUPAC name of 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene (CID 123194726) is 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene.
What is the SMILES notation for 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene?
The canonical SMILES for 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene is C=C(C)C(CC)C(CC(C)C)C(C)C.
What is the InChIKey of 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene?
The InChIKey is NNQKGEDGJBRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-8-13(11(4)5)14(12(6)7)9-10(2)3/h10,12-14H,4,8-9H2,1-3,5-7H3.
What are the key properties of 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene?
3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene has a molecular weight of 196.38 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dimethyl-4-propan-2-ylhept-1-ene is sourced from PubChem (CID 123194726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).