(6R)-6-deuterio-2-methylhept-2-ene

C8H16 — CID 175923111

IUPAC(6R)-6-deuterio-2-methylhept-2-ene
SMILES[2H][C@H](C)CCC=C(C)C
InChIInChI=1S/C8H16/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3/i4D/t4-/m1/s1
InChIKeyWEPNJTDVIIKRIK-MOTOZDKKSA-N
MW113.22 g/mol
LogP3.14
Rot. Bonds3

About (6R)-6-deuterio-2-methylhept-2-ene

(6R)-6-deuterio-2-methylhept-2-ene (PubChem CID 175923111) has the molecular formula C8H16 and a molecular weight of 113.22 g/mol. Its IUPAC name is (6R)-6-deuterio-2-methylhept-2-ene.

Molecular Properties

Compound Name(6R)-6-deuterio-2-methylhept-2-ene
PubChem CID175923111
Molecular FormulaC8H16
Molecular Weight113.22 g/mol
Exact Mass113.13
IUPAC Name(6R)-6-deuterio-2-methylhept-2-ene
SMILES[2H][C@H](C)CCC=C(C)C
InChIInChI=1S/C8H16/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3/i4D/t4-/m1/s1
InChIKeyWEPNJTDVIIKRIK-MOTOZDKKSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylhenicos-2-ene;dihydrobromide
CID 175068359
5-methylhex-4-ene-1-thiol
CID 123779789
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
6-methoxy-2-methylhex-2-ene
CID 59087760
CID 134925951
CID 134925951
N,N-diethyl-8-methylnon-7-enamide
CID 11458780
2,7-dimethyldec-2-ene
CID 123304905
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
2-methyldec-2-ene;(E)-3-methyloct-3-ene
CID 158273122
2,6-dimethyltetradeca-2,6-diene
CID 57189781
2,8-dimethylnona-2,7-dienenitrile
CID 162785101
(7R,8S)-2-methyloctadec-2-ene-7,8-diol
CID 13420628

Frequently Asked Questions

What is the IUPAC name of (6R)-6-deuterio-2-methylhept-2-ene?
The IUPAC name of (6R)-6-deuterio-2-methylhept-2-ene (CID 175923111) is (6R)-6-deuterio-2-methylhept-2-ene.
What is the SMILES notation for (6R)-6-deuterio-2-methylhept-2-ene?
The canonical SMILES for (6R)-6-deuterio-2-methylhept-2-ene is [2H][C@H](C)CCC=C(C)C.
What is the InChIKey of (6R)-6-deuterio-2-methylhept-2-ene?
The InChIKey is WEPNJTDVIIKRIK-MOTOZDKKSA-N. The full InChI is InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h7H,4-6H2,1-3H3/i4D/t4-/m1/s1.
What are the key properties of (6R)-6-deuterio-2-methylhept-2-ene?
(6R)-6-deuterio-2-methylhept-2-ene has a molecular weight of 113.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-deuterio-2-methylhept-2-ene is sourced from PubChem (CID 175923111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).