5-ethyl-2,5-dimethylhept-2-ene

C11H22 — CID 123530387

IUPAC5-ethyl-2,5-dimethylhept-2-ene
SMILESCCC(C)(CC)CC=C(C)C
InChIInChI=1S/C11H22/c1-6-11(5,7-2)9-8-10(3)4/h8H,6-7,9H2,1-5H3
InChIKeyRTEJJCPPVPXSHQ-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds4

About 5-ethyl-2,5-dimethylhept-2-ene

5-ethyl-2,5-dimethylhept-2-ene (PubChem CID 123530387) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 5-ethyl-2,5-dimethylhept-2-ene.

Molecular Properties

Compound Name5-ethyl-2,5-dimethylhept-2-ene
PubChem CID123530387
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name5-ethyl-2,5-dimethylhept-2-ene
SMILESCCC(C)(CC)CC=C(C)C
InChIInChI=1S/C11H22/c1-6-11(5,7-2)9-8-10(3)4/h8H,6-7,9H2,1-5H3
InChIKeyRTEJJCPPVPXSHQ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.17
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-ethyl-2,5-dimethylhex-4-en-1-amine
CID 130514715
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
3-ethyl-3,6-dimethylhepta-1,5-diene
CID 54216224
4,4-diethyl-7-methyloct-6-enal
CID 156744468
5-methoxy-2,5-dimethylhex-2-ene
CID 10351802
3-ethyl-3-methylpentane;methanol
CID 143799596
(2E)-3,4,4,7-tetramethylocta-2,6-dienal
CID 12813408
5-isocyano-2,5-dimethylhex-2-ene
CID 59350160
3,3,6-trimethylhept-5-en-1-ol
CID 20504089
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
6-ethyl-6,9-dimethyldec-8-en-5-ol
CID 118389079

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,5-dimethylhept-2-ene?
The IUPAC name of 5-ethyl-2,5-dimethylhept-2-ene (CID 123530387) is 5-ethyl-2,5-dimethylhept-2-ene.
What is the SMILES notation for 5-ethyl-2,5-dimethylhept-2-ene?
The canonical SMILES for 5-ethyl-2,5-dimethylhept-2-ene is CCC(C)(CC)CC=C(C)C.
What is the InChIKey of 5-ethyl-2,5-dimethylhept-2-ene?
The InChIKey is RTEJJCPPVPXSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-11(5,7-2)9-8-10(3)4/h8H,6-7,9H2,1-5H3.
What are the key properties of 5-ethyl-2,5-dimethylhept-2-ene?
5-ethyl-2,5-dimethylhept-2-ene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,5-dimethylhept-2-ene is sourced from PubChem (CID 123530387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).