CID 101136695

C11H19O — CID 101136695

IUPAC—
SMILESCC(C)=CCC[C@@H]1[CH]CCCO1
InChIInChI=1S/C11H19O/c1-10(2)6-5-8-11-7-3-4-9-12-11/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyNXTDTRYKVLNXQW-NSHDSACASA-N
MW167.27 g/mol
LogP3.12
Rot. Bonds3

About CID 101136695

CID 101136695 (PubChem CID 101136695) has the molecular formula C11H19O and a molecular weight of 167.27 g/mol.

Molecular Properties

Compound NameCID 101136695
PubChem CID101136695
Molecular FormulaC11H19O
Molecular Weight167.27 g/mol
Exact Mass167.14
IUPAC Name—
SMILESCC(C)=CCC[C@@H]1[CH]CCCO1
InChIInChI=1S/C11H19O/c1-10(2)6-5-8-11-7-3-4-9-12-11/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyNXTDTRYKVLNXQW-NSHDSACASA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101136695?
The IUPAC name of CID 101136695 (CID 101136695) is not available.
What is the SMILES notation for CID 101136695?
The canonical SMILES for CID 101136695 is CC(C)=CCC[C@@H]1[CH]CCCO1.
What is the InChIKey of CID 101136695?
The InChIKey is NXTDTRYKVLNXQW-NSHDSACASA-N. The full InChI is InChI=1S/C11H19O/c1-10(2)6-5-8-11-7-3-4-9-12-11/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of CID 101136695?
CID 101136695 has a molecular weight of 167.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101136695 is sourced from PubChem (CID 101136695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).