(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne

C13H24 — CID 159199153

IUPAC(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne
SMILESC#C[C@H](C)CC.C=C(C)[C@H](C)CC
InChIInChI=1S/C7H14.C6H10/c1-5-7(4)6(2)3;1-4-6(3)5-2/h7H,2,5H2,1,3-4H3;1,6H,5H2,2-3H3/t7-;6-/m10/s1
InChIKeyKPBAQACQMILANC-MNZRUBAUSA-N
MW180.33 g/mol
LogP4.27
Rot. Bonds3

About (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne

(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne (PubChem CID 159199153) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne.

Molecular Properties

Compound Name(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne
PubChem CID159199153
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne
SMILESC#C[C@H](C)CC.C=C(C)[C@H](C)CC
InChIInChI=1S/C7H14.C6H10/c1-5-7(4)6(2)3;1-4-6(3)5-2/h7H,2,5H2,1,3-4H3;1,6H,5H2,2-3H3/t7-;6-/m10/s1
InChIKeyKPBAQACQMILANC-MNZRUBAUSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.27
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

2,3-dimethylpent-1-ene;ethane
CID 143286891
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
3-methyl-N-[2-methyl-3-(2-methylbut-3-ynyl)cyclopropyl]pentan-2-imine
CID 123890887
1-(2,3-dimethylbut-3-enyl)-1-ethylcyclopropane
CID 123856253
(3R)-3-methylpent-1-en-2-ol
CID 89203555
4-methylhex-1-yn-3-ol
CID 64914374
(3S)-3-methyl-2-methylidenepentanoic acid
CID 55303655
2,4-dimethyl-3-methylidenehexane
CID 90734956
2,5-dimethylhept-1-en-3-ylhydrazine
CID 105320121
acetylene;2-methylbutane;(3S)-2,3,4-trimethylpent-1-ene
CID 163218839
4-ethyl-2,5-dimethyl-3-methylidenehept-1-ene
CID 123860888
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne?
The IUPAC name of (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne (CID 159199153) is (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne.
What is the SMILES notation for (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne?
The canonical SMILES for (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne is C#C[C@H](C)CC.C=C(C)[C@H](C)CC.
What is the InChIKey of (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne?
The InChIKey is KPBAQACQMILANC-MNZRUBAUSA-N. The full InChI is InChI=1S/C7H14.C6H10/c1-5-7(4)6(2)3;1-4-6(3)5-2/h7H,2,5H2,1,3-4H3;1,6H,5H2,2-3H3/t7-;6-/m10/s1.
What are the key properties of (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne?
(3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne has a molecular weight of 180.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylpent-1-ene;(3R)-3-methylpent-1-yne is sourced from PubChem (CID 159199153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).