CID 101181303

C12H21O — CID 101181303

IUPAC—
SMILESCC(C)C/C=[C]/OC1CCCCC1
InChIInChI=1S/C12H21O/c1-11(2)7-6-10-13-12-8-4-3-5-9-12/h6,11-12H,3-5,7-9H2,1-2H3
InChIKeySLCAMLRXUCZCCB-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.70
Rot. Bonds4

About CID 101181303

CID 101181303 (PubChem CID 101181303) has the molecular formula C12H21O and a molecular weight of 181.30 g/mol.

Molecular Properties

Compound NameCID 101181303
PubChem CID101181303
Molecular FormulaC12H21O
Molecular Weight181.30 g/mol
Exact Mass181.16
IUPAC Name—
SMILESCC(C)C/C=[C]/OC1CCCCC1
InChIInChI=1S/C12H21O/c1-11(2)7-6-10-13-12-8-4-3-5-9-12/h6,11-12H,3-5,7-9H2,1-2H3
InChIKeySLCAMLRXUCZCCB-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze CID 101181303 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-1-bromo-4-methylpent-1-enoxy]cyclohexane
CID 11334478
[(E)-but-1-enoxy]cyclohexane
CID 102396997
[(E)-1-bromo-5-methylhex-1-enoxy]cyclohexane
CID 134893814
[(2S,4R)-2,4-dimethyl-3,4-dihydro-2H-pyran-6-yl]-trimethylstannane
CID 134979054
Copper;4-methylpent-1-enoxycyclohexane;cyanide
CID 20736458
2-Methylhex-1-enoxycyclohexane
CID 57200948
2-Ethylhex-1-enoxycyclohexane
CID 57222127
Pent-1-enoxycyclohexane
CID 57231526
3-Methylbut-1-en-2-yloxycyclohexane
CID 57982100
[(Z)-5-methylhex-2-en-2-yl]oxycyclohexane
CID 60091709
[(E)-2-ethylhex-1-enoxy]cyclohexane
CID 67938935
[(E)-2-methylhex-1-enoxy]cyclohexane
CID 67939074

Frequently Asked Questions

What is the IUPAC name of CID 101181303?
The IUPAC name of CID 101181303 (CID 101181303) is not available.
What is the SMILES notation for CID 101181303?
The canonical SMILES for CID 101181303 is CC(C)C/C=[C]/OC1CCCCC1.
What is the InChIKey of CID 101181303?
The InChIKey is SLCAMLRXUCZCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O/c1-11(2)7-6-10-13-12-8-4-3-5-9-12/h6,11-12H,3-5,7-9H2,1-2H3.
What are the key properties of CID 101181303?
CID 101181303 has a molecular weight of 181.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101181303 is sourced from PubChem (CID 101181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).