(E)-2,2-dimethylhept-3-ene

C9H18 — CID 5352650

IUPAC(E)-2,2-dimethylhept-3-ene
SMILESCCC/C=C/C(C)(C)C
InChIInChI=1S/C9H18/c1-5-6-7-8-9(2,3)4/h7-8H,5-6H2,1-4H3/b8-7+
InChIKeyBQOCYCICSYUPRF-BQYQJAHWSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds2

About (E)-2,2-dimethylhept-3-ene

(E)-2,2-dimethylhept-3-ene (PubChem CID 5352650) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (E)-2,2-dimethylhept-3-ene.

Molecular Properties

Compound Name(E)-2,2-dimethylhept-3-ene
PubChem CID5352650
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(E)-2,2-dimethylhept-3-ene
SMILESCCC/C=C/C(C)(C)C
InChIInChI=1S/C9H18/c1-5-6-7-8-9(2,3)4/h7-8H,5-6H2,1-4H3/b8-7+
InChIKeyBQOCYCICSYUPRF-BQYQJAHWSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-2,2-dimethylhept-3-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

(E)-2,2-dimethylhex-3-ene
CID 5357261
(Z)-5,5-dimethylhex-3-en-1-ol
CID 117268008
(E)-2,2-dimethylhept-3-en-1-ol
CID 130125025
2-methylhept-3-en-2-yloxysilane
CID 173198643
butane;methane;2,2,5,5-tetramethylhex-3-ene;(Z)-2,2,5,5-tetramethylhex-3-ene
CID 162269346
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
(Z)-1-tert-butylsulfanyl-5,5-dimethylhex-3-ene
CID 58798569
(E)-2-amino-2-methylhept-3-enoic acid
CID 87097454
(E)-3,3-dimethyloct-4-enoic acid
CID 20576805
3,3-bis(trifluoromethyl)oct-4-ene
CID 151320386

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethylhept-3-ene?
The IUPAC name of (E)-2,2-dimethylhept-3-ene (CID 5352650) is (E)-2,2-dimethylhept-3-ene.
What is the SMILES notation for (E)-2,2-dimethylhept-3-ene?
The canonical SMILES for (E)-2,2-dimethylhept-3-ene is CCC/C=C/C(C)(C)C.
What is the InChIKey of (E)-2,2-dimethylhept-3-ene?
The InChIKey is BQOCYCICSYUPRF-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18/c1-5-6-7-8-9(2,3)4/h7-8H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-2,2-dimethylhept-3-ene?
(E)-2,2-dimethylhept-3-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethylhept-3-ene is sourced from PubChem (CID 5352650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).