1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene

C14H26O — CID 7392137

IUPAC1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene
SMILESCCCCO[C@H](C1=CCCCC1)C(C)C
InChIInChI=1S/C14H26O/c1-4-5-11-15-14(12(2)3)13-9-7-6-8-10-13/h9,12,14H,4-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyOVZPRUORQDKLAY-AWEZNQCLSA-N
MW210.36 g/mol
LogP4.33
Rot. Bonds6

About 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene

1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene (PubChem CID 7392137) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene.

Molecular Properties

Compound Name1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene
PubChem CID7392137
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene
SMILESCCCCO[C@H](C1=CCCCC1)C(C)C
InChIInChI=1S/C14H26O/c1-4-5-11-15-14(12(2)3)13-9-7-6-8-10-13/h9,12,14H,4-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyOVZPRUORQDKLAY-AWEZNQCLSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-butoxyphenyl)-(cyclohepten-1-yl)methanol
CID 106657772
1-(1,1,1-trimethoxynonan-2-yl)cyclohexene
CID 150382161
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate
CID 15353405
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
1-butylperoxycyclohexene
CID 150169078
diethyl 2-[(1R)-1-(cyclohexen-1-yl)ethyl]propanedioate
CID 11129313
1-(cyclohepten-1-yl)-2-propoxyethanamine
CID 106652723
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(1-iodoethyl)cyclohexene
CID 126621262
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene?
The IUPAC name of 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene (CID 7392137) is 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene.
What is the SMILES notation for 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene?
The canonical SMILES for 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene is CCCCO[C@H](C1=CCCCC1)C(C)C.
What is the InChIKey of 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene?
The InChIKey is OVZPRUORQDKLAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26O/c1-4-5-11-15-14(12(2)3)13-9-7-6-8-10-13/h9,12,14H,4-8,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene?
1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene has a molecular weight of 210.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-butoxy-2-methylpropyl]cyclohexene is sourced from PubChem (CID 7392137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).