CID 59997961

C15H30 — CID 59997961

IUPAC—
SMILESC[CH]C(CCCC)CC([CH]C)CCCC
InChIInChI=1S/C15H30/c1-5-9-11-14(7-3)13-15(8-4)12-10-6-2/h7-8,14-15H,5-6,9-13H2,1-4H3
InChIKeyBCIQXTSFNYQFLP-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.44
Rot. Bonds10

About CID 59997961

CID 59997961 (PubChem CID 59997961) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol.

Molecular Properties

Compound NameCID 59997961
PubChem CID59997961
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name—
SMILESC[CH]C(CCCC)CC([CH]C)CCCC
InChIInChI=1S/C15H30/c1-5-9-11-14(7-3)13-15(8-4)12-10-6-2/h7-8,14-15H,5-6,9-13H2,1-4H3
InChIKeyBCIQXTSFNYQFLP-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-ethylhexanal;methane
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2-ethylhexanal;phosphane
CID 174518467
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
5-ethylnon-3-ene
CID 91177059
2-(sulfanylmethyl)hexanal
CID 527437
2-ethenylhexane-1-thiol
CID 89278235
5-prop-2-enylnona-1,3-diene
CID 91355229

Frequently Asked Questions

What is the IUPAC name of CID 59997961?
The IUPAC name of CID 59997961 (CID 59997961) is not available.
What is the SMILES notation for CID 59997961?
The canonical SMILES for CID 59997961 is C[CH]C(CCCC)CC([CH]C)CCCC.
What is the InChIKey of CID 59997961?
The InChIKey is BCIQXTSFNYQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-9-11-14(7-3)13-15(8-4)12-10-6-2/h7-8,14-15H,5-6,9-13H2,1-4H3.
What are the key properties of CID 59997961?
CID 59997961 has a molecular weight of 210.40 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59997961 is sourced from PubChem (CID 59997961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).