CID 101181301

C10H17O — CID 101181301

IUPAC—
SMILESCC/C=[C]/OC1CCCCC1
InChIInChI=1S/C10H17O/c1-2-3-9-11-10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3
InChIKeyPQRCEDDMRHKLIL-UHFFFAOYSA-N
MW153.24 g/mol
LogP3.06
Rot. Bonds3

About CID 101181301

CID 101181301 (PubChem CID 101181301) has the molecular formula C10H17O and a molecular weight of 153.24 g/mol.

Molecular Properties

Compound NameCID 101181301
PubChem CID101181301
Molecular FormulaC10H17O
Molecular Weight153.24 g/mol
Exact Mass153.13
IUPAC Name—
SMILESCC/C=[C]/OC1CCCCC1
InChIInChI=1S/C10H17O/c1-2-3-9-11-10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3
InChIKeyPQRCEDDMRHKLIL-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101181301?
The IUPAC name of CID 101181301 (CID 101181301) is not available.
What is the SMILES notation for CID 101181301?
The canonical SMILES for CID 101181301 is CC/C=[C]/OC1CCCCC1.
What is the InChIKey of CID 101181301?
The InChIKey is PQRCEDDMRHKLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O/c1-2-3-9-11-10-7-5-4-6-8-10/h3,10H,2,4-8H2,1H3.
What are the key properties of CID 101181301?
CID 101181301 has a molecular weight of 153.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101181301 is sourced from PubChem (CID 101181301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).