(3R)-2,3,4-trimethylpent-1-ene

C8H16 — CID 59911217

IUPAC(3R)-2,3,4-trimethylpent-1-ene
SMILESC=C(C)[C@H](C)C(C)C
InChIInChI=1S/C8H16/c1-6(2)8(5)7(3)4/h7-8H,1H2,2-5H3/t8-/m0/s1
InChIKeyFAWUHEYSSPPNSH-QMMMGPOBSA-N
MW112.22 g/mol
LogP2.85
Rot. Bonds2

About (3R)-2,3,4-trimethylpent-1-ene

(3R)-2,3,4-trimethylpent-1-ene (PubChem CID 59911217) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (3R)-2,3,4-trimethylpent-1-ene.

Molecular Properties

Compound Name(3R)-2,3,4-trimethylpent-1-ene
PubChem CID59911217
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(3R)-2,3,4-trimethylpent-1-ene
SMILESC=C(C)[C@H](C)C(C)C
InChIInChI=1S/C8H16/c1-6(2)8(5)7(3)4/h7-8H,1H2,2-5H3/t8-/m0/s1
InChIKeyFAWUHEYSSPPNSH-QMMMGPOBSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2,3,4-trimethylpent-1-ene?
The IUPAC name of (3R)-2,3,4-trimethylpent-1-ene (CID 59911217) is (3R)-2,3,4-trimethylpent-1-ene.
What is the SMILES notation for (3R)-2,3,4-trimethylpent-1-ene?
The canonical SMILES for (3R)-2,3,4-trimethylpent-1-ene is C=C(C)[C@H](C)C(C)C.
What is the InChIKey of (3R)-2,3,4-trimethylpent-1-ene?
The InChIKey is FAWUHEYSSPPNSH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h7-8H,1H2,2-5H3/t8-/m0/s1.
What are the key properties of (3R)-2,3,4-trimethylpent-1-ene?
(3R)-2,3,4-trimethylpent-1-ene has a molecular weight of 112.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3,4-trimethylpent-1-ene is sourced from PubChem (CID 59911217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).