CID 10501710

C12H17O — CID 10501710

IUPAC
SMILESOC([C]1[CH][CH][CH][CH]1)C1CCCCC1
InChIInChI=1S/C12H17O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8-10,12-13H,1-3,6-7H2
InChIKeyRCFVQNNCBGQNSQ-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.33
Rot. Bonds2

About CID 10501710

CID 10501710 (PubChem CID 10501710) has the molecular formula C12H17O and a molecular weight of 177.27 g/mol.

Molecular Properties

Compound NameCID 10501710
PubChem CID10501710
Molecular FormulaC12H17O
Molecular Weight177.27 g/mol
Exact Mass177.13
IUPAC Name
SMILESOC([C]1[CH][CH][CH][CH]1)C1CCCCC1
InChIInChI=1S/C12H17O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8-10,12-13H,1-3,6-7H2
InChIKeyRCFVQNNCBGQNSQ-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 10501710?
The IUPAC name of CID 10501710 (CID 10501710) is not available.
What is the SMILES notation for CID 10501710?
The canonical SMILES for CID 10501710 is OC([C]1[CH][CH][CH][CH]1)C1CCCCC1.
What is the InChIKey of CID 10501710?
The InChIKey is RCFVQNNCBGQNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8-10,12-13H,1-3,6-7H2.
What are the key properties of CID 10501710?
CID 10501710 has a molecular weight of 177.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10501710 is sourced from PubChem (CID 10501710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).