CID 12724635

C7H11 — CID 12724635

IUPAC—
SMILESC[C]1C=CCCC1
InChIInChI=1S/C7H11/c1-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3
InChIKeyBCVPCHFJXONASA-UHFFFAOYSA-N
MW95.16 g/mol
LogP2.32
Rot. Bonds

About CID 12724635

CID 12724635 (PubChem CID 12724635) has the molecular formula C7H11 and a molecular weight of 95.16 g/mol.

Molecular Properties

Compound NameCID 12724635
PubChem CID12724635
Molecular FormulaC7H11
Molecular Weight95.16 g/mol
Exact Mass95.09
IUPAC Name—
SMILESC[C]1C=CCCC1
InChIInChI=1S/C7H11/c1-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3
InChIKeyBCVPCHFJXONASA-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclohexene
CID 8079
4-Vinyl-1-cyclohexene
CID 7499
3-Methylcyclopentene
CID 14263
4-Methylcyclohexene
CID 11572
3-Methylcyclohexene
CID 11573
3-Ethylcyclopentene
CID 79095
(4S)-4-ethenylcyclohexene
CID 638078
4,4-Dimethylcyclohexene
CID 26445
3,3-Dimethylcyclohexene
CID 136516
3-Ethylcyclohex-1-ene
CID 137724
4-Ethylcyclohex-1-ene
CID 138037
Cyclohexene, 4-methylene-
CID 139449

Frequently Asked Questions

What is the IUPAC name of CID 12724635?
The IUPAC name of CID 12724635 (CID 12724635) is not available.
What is the SMILES notation for CID 12724635?
The canonical SMILES for CID 12724635 is C[C]1C=CCCC1.
What is the InChIKey of CID 12724635?
The InChIKey is BCVPCHFJXONASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11/c1-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3.
What are the key properties of CID 12724635?
CID 12724635 has a molecular weight of 95.16 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12724635 is sourced from PubChem (CID 12724635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).