8-propan-2-ylbicyclo[3.2.1]oct-6-ene

C11H18 — CID 155648026

IUPAC8-propan-2-ylbicyclo[3.2.1]oct-6-ene
SMILESCC(C)C1C2C=CC1CCC2
InChIInChI=1S/C11H18/c1-8(2)11-9-4-3-5-10(11)7-6-9/h6-11H,3-5H2,1-2H3
InChIKeyNCFCQEMPDLSSFM-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.24
Rot. Bonds1

About 8-propan-2-ylbicyclo[3.2.1]oct-6-ene

8-propan-2-ylbicyclo[3.2.1]oct-6-ene (PubChem CID 155648026) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 8-propan-2-ylbicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name8-propan-2-ylbicyclo[3.2.1]oct-6-ene
PubChem CID155648026
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name8-propan-2-ylbicyclo[3.2.1]oct-6-ene
SMILESCC(C)C1C2C=CC1CCC2
InChIInChI=1S/C11H18/c1-8(2)11-9-4-3-5-10(11)7-6-9/h6-11H,3-5H2,1-2H3
InChIKeyNCFCQEMPDLSSFM-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane
CID 175612345
1-(3-methyl-2-bicyclo[2.2.2]oct-5-enyl)ethanol
CID 130126669
(1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol
CID 90132841
2,3,3a,7a-tetrahydro-1H-indene
CID 12652500
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
CID 172588830
(1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene
CID 20800792
trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
CID 167274571
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
carbanide;bis(cyclopentane);bis(dichlorozirconium(2+));6-methyl-2,3,3a,6,6a,7,8,9,9a,9b-decahydro-1H-cyclopenta[e]azulene
CID 162287906

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylbicyclo[3.2.1]oct-6-ene?
The IUPAC name of 8-propan-2-ylbicyclo[3.2.1]oct-6-ene (CID 155648026) is 8-propan-2-ylbicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 8-propan-2-ylbicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 8-propan-2-ylbicyclo[3.2.1]oct-6-ene is CC(C)C1C2C=CC1CCC2.
What is the InChIKey of 8-propan-2-ylbicyclo[3.2.1]oct-6-ene?
The InChIKey is NCFCQEMPDLSSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)11-9-4-3-5-10(11)7-6-9/h6-11H,3-5H2,1-2H3.
What are the key properties of 8-propan-2-ylbicyclo[3.2.1]oct-6-ene?
8-propan-2-ylbicyclo[3.2.1]oct-6-ene has a molecular weight of 150.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylbicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 155648026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).