CID 102475153

C7H13O — CID 102475153

IUPAC—
SMILESO[CH]C1CCCCC1
InChIInChI=1S/C7H13O/c8-6-7-4-2-1-3-5-7/h6-8H,1-5H2
InChIKeyHAPITTNAEFUYPA-UHFFFAOYSA-N
MW113.18 g/mol
LogP2.10
Rot. Bonds1

About CID 102475153

CID 102475153 (PubChem CID 102475153) has the molecular formula C7H13O and a molecular weight of 113.18 g/mol.

Molecular Properties

Compound NameCID 102475153
PubChem CID102475153
Molecular FormulaC7H13O
Molecular Weight113.18 g/mol
Exact Mass113.10
IUPAC Name—
SMILESO[CH]C1CCCCC1
InChIInChI=1S/C7H13O/c8-6-7-4-2-1-3-5-7/h6-8H,1-5H2
InChIKeyHAPITTNAEFUYPA-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90716773
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CID 174845063
cyclooctane-1,5-dicarbaldehyde
CID 18542113
cyclohexanecarbaldehyde;fluoroform
CID 156741172
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CID 22182864

Frequently Asked Questions

What is the IUPAC name of CID 102475153?
The IUPAC name of CID 102475153 (CID 102475153) is not available.
What is the SMILES notation for CID 102475153?
The canonical SMILES for CID 102475153 is O[CH]C1CCCCC1.
What is the InChIKey of CID 102475153?
The InChIKey is HAPITTNAEFUYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O/c8-6-7-4-2-1-3-5-7/h6-8H,1-5H2.
What are the key properties of CID 102475153?
CID 102475153 has a molecular weight of 113.18 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102475153 is sourced from PubChem (CID 102475153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).