(E,5R)-2,5,7-trimethyloct-3-ene

C11H22 — CID 161076848

IUPAC(E,5R)-2,5,7-trimethyloct-3-ene
SMILESCC(C)/C=C/[C@H](C)CC(C)C
InChIInChI=1S/C11H22/c1-9(2)6-7-11(5)8-10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+/t11-/m0/s1
InChIKeyHNVVQYSLPVYOQZ-MLRMMBSGSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds4

About (E,5R)-2,5,7-trimethyloct-3-ene

(E,5R)-2,5,7-trimethyloct-3-ene (PubChem CID 161076848) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (E,5R)-2,5,7-trimethyloct-3-ene.

Molecular Properties

Compound Name(E,5R)-2,5,7-trimethyloct-3-ene
PubChem CID161076848
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(E,5R)-2,5,7-trimethyloct-3-ene
SMILESCC(C)/C=C/[C@H](C)CC(C)C
InChIInChI=1S/C11H22/c1-9(2)6-7-11(5)8-10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+/t11-/m0/s1
InChIKeyHNVVQYSLPVYOQZ-MLRMMBSGSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
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

2,5-dimethylhexane;(E)-2,5-dimethylhex-3-ene
CID 160891186
(Z,3R,6R)-3-hydroxy-6,8-dimethylnon-4-enoic acid
CID 125475724
butane;2,5-dimethylhexan-3-ol;(E)-2,5-dimethylhex-3-ene;propane
CID 157485738
5,7-dimethyloct-3-enoic acid
CID 162716826
2,4-dimethylpentane
CID 157050020
(2R,3S,4S)-6-methylheptane-1,1,2,3,4-pentol
CID 59876270
2,4,6-trimethylhept-2-ene
CID 558039
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
2,4-dimethylpentane;methane
CID 159476318
(E)-2,6-dimethylhept-3-ene
CID 5364654
3,6-dimethyloct-4-ene
CID 73165576
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740

Frequently Asked Questions

What is the IUPAC name of (E,5R)-2,5,7-trimethyloct-3-ene?
The IUPAC name of (E,5R)-2,5,7-trimethyloct-3-ene (CID 161076848) is (E,5R)-2,5,7-trimethyloct-3-ene.
What is the SMILES notation for (E,5R)-2,5,7-trimethyloct-3-ene?
The canonical SMILES for (E,5R)-2,5,7-trimethyloct-3-ene is CC(C)/C=C/[C@H](C)CC(C)C.
What is the InChIKey of (E,5R)-2,5,7-trimethyloct-3-ene?
The InChIKey is HNVVQYSLPVYOQZ-MLRMMBSGSA-N. The full InChI is InChI=1S/C11H22/c1-9(2)6-7-11(5)8-10(3)4/h6-7,9-11H,8H2,1-5H3/b7-6+/t11-/m0/s1.
What are the key properties of (E,5R)-2,5,7-trimethyloct-3-ene?
(E,5R)-2,5,7-trimethyloct-3-ene has a molecular weight of 154.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-2,5,7-trimethyloct-3-ene is sourced from PubChem (CID 161076848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).