4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene

C12H22 — CID 123860888

IUPAC4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene
SMILESC=C(C)C(=C)C(CC)C(C)CC
InChIInChI=1S/C12H22/c1-7-10(5)12(8-2)11(6)9(3)4/h10,12H,3,6-8H2,1-2,4-5H3
InChIKeyQVPZTMLPLFCJHX-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds5

About 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene

4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene (PubChem CID 123860888) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene.

Molecular Properties

Compound Name4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene
PubChem CID123860888
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene
SMILESC=C(C)C(=C)C(CC)C(C)CC
InChIInChI=1S/C12H22/c1-7-10(5)12(8-2)11(6)9(3)4/h10,12H,3,6-8H2,1-2,4-5H3
InChIKeyQVPZTMLPLFCJHX-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
4-methylhex-1-en-3-ol;tris(2-methylprop-2-enoic acid)
CID 174398632
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
(4-chloro-3-ethylpent-1-en-2-yl)silane
CID 173064754
methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate
CID 10844880
2,4-dimethyl-3-(2-methylpent-1-en-3-yloxy)hex-1-ene
CID 123989375
3,4-diethyl-2,6-dimethylhept-1-ene
CID 123692241
(2R,3S)-3-methyl-N-(2-methylprop-2-enyl)pentan-2-amine
CID 94400360
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
ethane;3-ethyl-4-methylpent-1-en-2-amine
CID 143289250
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene?
The IUPAC name of 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene (CID 123860888) is 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene.
What is the SMILES notation for 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene?
The canonical SMILES for 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene is C=C(C)C(=C)C(CC)C(C)CC.
What is the InChIKey of 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene?
The InChIKey is QVPZTMLPLFCJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-7-10(5)12(8-2)11(6)9(3)4/h10,12H,3,6-8H2,1-2,4-5H3.
What are the key properties of 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene?
4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene is sourced from PubChem (CID 123860888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).