(4-propan-2-ylcyclohexen-1-yl)oxidanium

C9H17O+ — CID 163435891

IUPAC(4-propan-2-ylcyclohexen-1-yl)oxidanium
SMILESCC(C)C1CC=C([OH2+])CC1
InChIInChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h5,7-8,10H,3-4,6H2,1-2H3/p+1
InChIKeyAULRHYBGVDPBNJ-UHFFFAOYSA-O
MW141.23 g/mol
LogP2.05
Rot. Bonds1

About (4-propan-2-ylcyclohexen-1-yl)oxidanium

(4-propan-2-ylcyclohexen-1-yl)oxidanium (PubChem CID 163435891) has the molecular formula C9H17O+ and a molecular weight of 141.23 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexen-1-yl)oxidanium.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexen-1-yl)oxidanium
PubChem CID163435891
Molecular FormulaC9H17O+
Molecular Weight141.23 g/mol
Exact Mass141.13
IUPAC Name(4-propan-2-ylcyclohexen-1-yl)oxidanium
SMILESCC(C)C1CC=C([OH2+])CC1
InChIInChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h5,7-8,10H,3-4,6H2,1-2H3/p+1
InChIKeyAULRHYBGVDPBNJ-UHFFFAOYSA-O
XLogP2.05
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
1-(4-propan-2-ylcyclohexen-1-yl)ethanone
CID 153373666
(4R)-4-propan-2-ylcyclohexene-1-carboxylic acid
CID 130944939
2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745472
4-(4-propan-2-ylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
CID 88943328
1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol
CID 151640191
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene
CID 160741124
1,2,4-tri(propan-2-yl)cyclohexene
CID 177269639
(1E,5E,8S)-1-methyl-4-methylidene-8-propan-2-ylcyclodeca-1,5-diene
CID 162874249
1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene
CID 10107418
(4R)-4-butan-2-yl-1-propan-2-ylcyclohexene
CID 142893677

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexen-1-yl)oxidanium?
The IUPAC name of (4-propan-2-ylcyclohexen-1-yl)oxidanium (CID 163435891) is (4-propan-2-ylcyclohexen-1-yl)oxidanium.
What is the SMILES notation for (4-propan-2-ylcyclohexen-1-yl)oxidanium?
The canonical SMILES for (4-propan-2-ylcyclohexen-1-yl)oxidanium is CC(C)C1CC=C([OH2+])CC1.
What is the InChIKey of (4-propan-2-ylcyclohexen-1-yl)oxidanium?
The InChIKey is AULRHYBGVDPBNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h5,7-8,10H,3-4,6H2,1-2H3/p+1.
What are the key properties of (4-propan-2-ylcyclohexen-1-yl)oxidanium?
(4-propan-2-ylcyclohexen-1-yl)oxidanium has a molecular weight of 141.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexen-1-yl)oxidanium is sourced from PubChem (CID 163435891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).