ethane;2-methylpentane;prop-1-yne

C15H36 — CID 143374502

IUPACethane;2-methylpentane;prop-1-yne
SMILESC#CC.CC.CC.CC.CCCC(C)C
InChIInChI=1S/C6H14.C3H4.3C2H6/c1-4-5-6(2)3;1-3-2;3*1-2/h6H,4-5H2,1-3H3;1H,2H3;3*1-2H3
InChIKeyUXNQNCAKQHQTCZ-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.16
Rot. Bonds2

About ethane;2-methylpentane;prop-1-yne

ethane;2-methylpentane;prop-1-yne (PubChem CID 143374502) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is ethane;2-methylpentane;prop-1-yne.

Molecular Properties

Compound Nameethane;2-methylpentane;prop-1-yne
PubChem CID143374502
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Nameethane;2-methylpentane;prop-1-yne
SMILESC#CC.CC.CC.CC.CCCC(C)C
InChIInChI=1S/C6H14.C3H4.3C2H6/c1-4-5-6(2)3;1-3-2;3*1-2/h6H,4-5H2,1-3H3;1H,2H3;3*1-2H3
InChIKeyUXNQNCAKQHQTCZ-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methylpentane
CID 143713716
ethane;methane;bis(2-methylpentane)
CID 142143156
2-methylpentane
CID 7892
azane;2-methylpentane
CID 18347292
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
methane;2-methylpentane;propane
CID 161026516
ethane;2-methylpentane;pentane;propane
CID 142044971
ethanamine;2-methylpentane
CID 143240474
hexane;2-methylpentane
CID 19835603
2-methylpentane diisocyanate
CID 22323257

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpentane;prop-1-yne?
The IUPAC name of ethane;2-methylpentane;prop-1-yne (CID 143374502) is ethane;2-methylpentane;prop-1-yne.
What is the SMILES notation for ethane;2-methylpentane;prop-1-yne?
The canonical SMILES for ethane;2-methylpentane;prop-1-yne is C#CC.CC.CC.CC.CCCC(C)C.
What is the InChIKey of ethane;2-methylpentane;prop-1-yne?
The InChIKey is UXNQNCAKQHQTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H4.3C2H6/c1-4-5-6(2)3;1-3-2;3*1-2/h6H,4-5H2,1-3H3;1H,2H3;3*1-2H3.
What are the key properties of ethane;2-methylpentane;prop-1-yne?
ethane;2-methylpentane;prop-1-yne has a molecular weight of 216.45 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpentane;prop-1-yne is sourced from PubChem (CID 143374502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).