5-methyl-3-propan-2-yloct-2-ene

C12H24 — CID 123290549

IUPAC5-methyl-3-propan-2-yloct-2-ene
SMILESCC=C(CC(C)CCC)C(C)C
InChIInChI=1S/C12H24/c1-6-8-11(5)9-12(7-2)10(3)4/h7,10-11H,6,8-9H2,1-5H3
InChIKeyVTLSWPRUFYAISF-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 5-methyl-3-propan-2-yloct-2-ene

5-methyl-3-propan-2-yloct-2-ene (PubChem CID 123290549) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yloct-2-ene.

Molecular Properties

Compound Name5-methyl-3-propan-2-yloct-2-ene
PubChem CID123290549
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name5-methyl-3-propan-2-yloct-2-ene
SMILESCC=C(CC(C)CCC)C(C)C
InChIInChI=1S/C12H24/c1-6-8-11(5)9-12(7-2)10(3)4/h7,10-11H,6,8-9H2,1-5H3
InChIKeyVTLSWPRUFYAISF-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
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

5-ethylidene-3,7-dimethyldecane
CID 91539867
3-methylhexanoate
CID 22322574
5-methyloctane-2,3-dione
CID 20560355
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
(E)-3-propan-2-ylhex-2-ene
CID 142020071
ethane;4-methylheptan-2-one
CID 142986053
3-methylhexanethioamide
CID 62266402
4-methylheptane;propane
CID 142171269
(E)-3,5-dimethyloct-2-enal
CID 87292171
acetylene;4-methylheptane
CID 143164229
N'-hydroxy-3-methylhexanimidamide
CID 76589131

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yloct-2-ene?
The IUPAC name of 5-methyl-3-propan-2-yloct-2-ene (CID 123290549) is 5-methyl-3-propan-2-yloct-2-ene.
What is the SMILES notation for 5-methyl-3-propan-2-yloct-2-ene?
The canonical SMILES for 5-methyl-3-propan-2-yloct-2-ene is CC=C(CC(C)CCC)C(C)C.
What is the InChIKey of 5-methyl-3-propan-2-yloct-2-ene?
The InChIKey is VTLSWPRUFYAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-8-11(5)9-12(7-2)10(3)4/h7,10-11H,6,8-9H2,1-5H3.
What are the key properties of 5-methyl-3-propan-2-yloct-2-ene?
5-methyl-3-propan-2-yloct-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yloct-2-ene is sourced from PubChem (CID 123290549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).