CID 5478995

C6H9O — CID 5478995

IUPAC—
SMILES[O]C1=CCCCC1
InChIInChI=1S/C6H9O/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeySEPVQUHYKSIVCI-UHFFFAOYSA-N
MW97.14 g/mol
LogP1.87
Rot. Bonds

About CID 5478995

CID 5478995 (PubChem CID 5478995) has the molecular formula C6H9O and a molecular weight of 97.14 g/mol.

Molecular Properties

Compound NameCID 5478995
PubChem CID5478995
Molecular FormulaC6H9O
Molecular Weight97.14 g/mol
Exact Mass97.07
IUPAC Name—
SMILES[O]C1=CCCCC1
InChIInChI=1S/C6H9O/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeySEPVQUHYKSIVCI-UHFFFAOYSA-N
XLogP1.87
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.14
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclohexenol
CID 637939
(E)-2-octen-3-ol
CID 15695273
2-Octen-3-ol
CID 71348348
(E)-oct-2-en-3-ol
CID 102285514
Cyclopentenol
CID 18569
Lithium cyclohexenolate
CID 637938
Cycloheptenol
CID 11795302
Cyclohex-1-ene-1-peroxol
CID 13561474
Cyclohexene-1,2-diol
CID 15642161
Cyclohexen-1-olate
CID 21582122
4-Fluorocyclohexen-1-ol
CID 89060796
2-Fluorocyclohexen-1-ol
CID 89884786

Frequently Asked Questions

What is the IUPAC name of CID 5478995?
The IUPAC name of CID 5478995 (CID 5478995) is not available.
What is the SMILES notation for CID 5478995?
The canonical SMILES for CID 5478995 is [O]C1=CCCCC1.
What is the InChIKey of CID 5478995?
The InChIKey is SEPVQUHYKSIVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O/c7-6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of CID 5478995?
CID 5478995 has a molecular weight of 97.14 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5478995 is sourced from PubChem (CID 5478995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).