8-methyl-5-propan-2-ylnon-3-ene

C13H26 — CID 123416955

IUPAC8-methyl-5-propan-2-ylnon-3-ene
SMILESCCC=CC(CCC(C)C)C(C)C
InChIInChI=1S/C13H26/c1-6-7-8-13(12(4)5)10-9-11(2)3/h7-8,11-13H,6,9-10H2,1-5H3
InChIKeyUEXCRMBPOBEFQZ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds6

About 8-methyl-5-propan-2-ylnon-3-ene

8-methyl-5-propan-2-ylnon-3-ene (PubChem CID 123416955) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 8-methyl-5-propan-2-ylnon-3-ene.

Molecular Properties

Compound Name8-methyl-5-propan-2-ylnon-3-ene
PubChem CID123416955
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name8-methyl-5-propan-2-ylnon-3-ene
SMILESCCC=CC(CCC(C)C)C(C)C
InChIInChI=1S/C13H26/c1-6-7-8-13(12(4)5)10-9-11(2)3/h7-8,11-13H,6,9-10H2,1-5H3
InChIKeyUEXCRMBPOBEFQZ-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.66
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

8-methylnon-3-ene
CID 54424784
5-ethyl-6-methyloct-3-ene
CID 90715471
3-ethyl-2,2,3,9,12-pentamethyl-6-propan-2-yltridec-4-ene
CID 123700676
(E,2R,3S)-2-methyl-3-propylhept-4-enal
CID 118242772
10-methylundec-3-ene
CID 544769
(Z)-N-(2-methylpropyl)hex-3-en-2-amine
CID 130260557
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
(E,5S)-5,6,6-trimethylhept-3-ene
CID 134979568
2-methylhept-4-en-3-ol
CID 54499499
8,9-dimethyl-4-propan-2-ylundec-5-ene
CID 123486023
2,5-dimethylhexane;(E)-2,5-dimethylhex-3-ene
CID 160891186
4-propan-2-ylhept-2-ene
CID 54114231

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-propan-2-ylnon-3-ene?
The IUPAC name of 8-methyl-5-propan-2-ylnon-3-ene (CID 123416955) is 8-methyl-5-propan-2-ylnon-3-ene.
What is the SMILES notation for 8-methyl-5-propan-2-ylnon-3-ene?
The canonical SMILES for 8-methyl-5-propan-2-ylnon-3-ene is CCC=CC(CCC(C)C)C(C)C.
What is the InChIKey of 8-methyl-5-propan-2-ylnon-3-ene?
The InChIKey is UEXCRMBPOBEFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-7-8-13(12(4)5)10-9-11(2)3/h7-8,11-13H,6,9-10H2,1-5H3.
What are the key properties of 8-methyl-5-propan-2-ylnon-3-ene?
8-methyl-5-propan-2-ylnon-3-ene has a molecular weight of 182.35 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-propan-2-ylnon-3-ene is sourced from PubChem (CID 123416955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).