acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene

C15H30 — CID 163218839

IUPACacetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene
SMILESC#C.C=C(C)[C@@H](C)C(C)C.CCC(C)C
InChIInChI=1S/C8H16.C5H12.C2H2/c1-6(2)8(5)7(3)4;1-4-5(2)3;1-2/h7-8H,1H2,2-5H3;5H,4H2,1-3H3;1-2H/t8-;;/m1../s1
InChIKeyGPUBPFDBECUAQK-YCBDHFTFSA-N
MW210.40 g/mol
LogP5.16
Rot. Bonds3

About acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene

acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene (PubChem CID 163218839) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene.

Molecular Properties

Compound Nameacetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene
PubChem CID163218839
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Nameacetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene
SMILESC#C.C=C(C)[C@@H](C)C(C)C.CCC(C)C
InChIInChI=1S/C8H16.C5H12.C2H2/c1-6(2)8(5)7(3)4;1-4-5(2)3;1-2/h7-8H,1H2,2-5H3;5H,4H2,1-3H3;1-2H/t8-;;/m1../s1
InChIKeyGPUBPFDBECUAQK-YCBDHFTFSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
3-methylbutane-2-thione;(3S)-2,3,4-trimethylpent-1-ene
CID 163218774
4-ethyl-2,3-dimethylhexa-1,5-diene
CID 54442334
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
2-methylbutane;3-methylbutan-2-ol
CID 87553210
(3S,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979804
3,4,5-trimethylhex-5-en-2-one
CID 123545933
(3R,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979803
2,3-dimethylpent-1-ene;ethane
CID 143286891
hydroxylamine;2-methylbutane
CID 175063986

Frequently Asked Questions

What is the IUPAC name of acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene?
The IUPAC name of acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene (CID 163218839) is acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene.
What is the SMILES notation for acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene?
The canonical SMILES for acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene is C#C.C=C(C)[C@@H](C)C(C)C.CCC(C)C.
What is the InChIKey of acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene?
The InChIKey is GPUBPFDBECUAQK-YCBDHFTFSA-N. The full InChI is InChI=1S/C8H16.C5H12.C2H2/c1-6(2)8(5)7(3)4;1-4-5(2)3;1-2/h7-8H,1H2,2-5H3;5H,4H2,1-3H3;1-2H/t8-;;/m1../s1.
What are the key properties of acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene?
acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene has a molecular weight of 210.40 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene is sourced from PubChem (CID 163218839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).