4-methoxy-4,5,5-trimethylhex-1-ene

C10H20O — CID 134995475

IUPAC4-methoxy-4,5,5-trimethylhex-1-ene
SMILESC=CCC(C)(OC)C(C)(C)C
InChIInChI=1S/C10H20O/c1-7-8-10(5,11-6)9(2,3)4/h7H,1,8H2,2-6H3
InChIKeyKLZVAXSFSNUZCR-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.01
Rot. Bonds3

About 4-methoxy-4,5,5-trimethylhex-1-ene

4-methoxy-4,5,5-trimethylhex-1-ene (PubChem CID 134995475) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-methoxy-4,5,5-trimethylhex-1-ene.

Molecular Properties

Compound Name4-methoxy-4,5,5-trimethylhex-1-ene
PubChem CID134995475
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-methoxy-4,5,5-trimethylhex-1-ene
SMILESC=CCC(C)(OC)C(C)(C)C
InChIInChI=1S/C10H20O/c1-7-8-10(5,11-6)9(2,3)4/h7H,1,8H2,2-6H3
InChIKeyKLZVAXSFSNUZCR-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
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
4-Methoxy-4-methylhex-1-ene
CID 13707452

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4,5,5-trimethylhex-1-ene?
The IUPAC name of 4-methoxy-4,5,5-trimethylhex-1-ene (CID 134995475) is 4-methoxy-4,5,5-trimethylhex-1-ene.
What is the SMILES notation for 4-methoxy-4,5,5-trimethylhex-1-ene?
The canonical SMILES for 4-methoxy-4,5,5-trimethylhex-1-ene is C=CCC(C)(OC)C(C)(C)C.
What is the InChIKey of 4-methoxy-4,5,5-trimethylhex-1-ene?
The InChIKey is KLZVAXSFSNUZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-7-8-10(5,11-6)9(2,3)4/h7H,1,8H2,2-6H3.
What are the key properties of 4-methoxy-4,5,5-trimethylhex-1-ene?
4-methoxy-4,5,5-trimethylhex-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4,5,5-trimethylhex-1-ene is sourced from PubChem (CID 134995475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).