CID 100937333

C7H13O — CID 100937333

IUPAC—
SMILESC[C](O)C1CC1(C)C
InChIInChI=1S/C7H13O/c1-5(8)6-4-7(6,2)3/h6,8H,4H2,1-3H3
InChIKeyRXSVGDRCVLVOGT-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.96
Rot. Bonds1

About CID 100937333

CID 100937333 (PubChem CID 100937333) has the molecular formula C7H13O and a molecular weight of 113.18 g/mol.

Molecular Properties

Compound NameCID 100937333
PubChem CID100937333
Molecular FormulaC7H13O
Molecular Weight113.18 g/mol
Exact Mass113.10
IUPAC Name—
SMILESC[C](O)C1CC1(C)C
InChIInChI=1S/C7H13O/c1-5(8)6-4-7(6,2)3/h6,8H,4H2,1-3H3
InChIKeyRXSVGDRCVLVOGT-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 100937333?
The IUPAC name of CID 100937333 (CID 100937333) is not available.
What is the SMILES notation for CID 100937333?
The canonical SMILES for CID 100937333 is C[C](O)C1CC1(C)C.
What is the InChIKey of CID 100937333?
The InChIKey is RXSVGDRCVLVOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O/c1-5(8)6-4-7(6,2)3/h6,8H,4H2,1-3H3.
What are the key properties of CID 100937333?
CID 100937333 has a molecular weight of 113.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100937333 is sourced from PubChem (CID 100937333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).