4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene

C12H24O — CID 23385034

IUPAC4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene
SMILESC=CCC(OC)(C(C)C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-8-9-12(13-7,10(2)3)11(4,5)6/h8,10H,1,9H2,2-7H3
InChIKeyOSYAUJCXZUDASH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.65
Rot. Bonds4

About 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene

4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene (PubChem CID 23385034) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene.

Molecular Properties

Compound Name4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene
PubChem CID23385034
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene
SMILESC=CCC(OC)(C(C)C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-8-9-12(13-7,10(2)3)11(4,5)6/h8,10H,1,9H2,2-7H3
InChIKeyOSYAUJCXZUDASH-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-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-Tert-butyl-2,2,4-trimethylhex-5-en-3-ol
CID 10888893
(r,s)-2-Allyl-2-t-butyl-oxirane
CID 15933472
3-Tert-butyl-2,2-dimethylhex-5-en-3-ol
CID 11789902
(3S,4S)-2,2,3,4-tetramethylhex-5-en-3-ol
CID 11658324
(3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol
CID 23583871
4-Methoxy-2,4,5,5-tetramethylhex-1-ene
CID 134930792
(3R)-2,2,3-trimethylhex-5-en-3-ol
CID 134940699
4-Methoxy-4,5,5-trimethylhex-1-ene
CID 134995475
2,2,4-Trimethyl-3-propan-2-ylhex-5-en-3-ol
CID 12431762
2,2,3,4-Tetramethylhex-5-en-3-ol
CID 538761
1,6-Heptadien-4-ol, 4-(1,1-dimethylethyl)-
CID 11286699
2,2,3-Trimethylhex-5-en-3-ol
CID 12237101

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene?
The IUPAC name of 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene (CID 23385034) is 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene.
What is the SMILES notation for 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene?
The canonical SMILES for 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene is C=CCC(OC)(C(C)C)C(C)(C)C.
What is the InChIKey of 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene?
The InChIKey is OSYAUJCXZUDASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8-9-12(13-7,10(2)3)11(4,5)6/h8,10H,1,9H2,2-7H3.
What are the key properties of 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene?
4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene has a molecular weight of 184.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene is sourced from PubChem (CID 23385034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).