3,3,6,7,8-pentamethylnon-1-ene

C14H28 — CID 123898570

IUPAC3,3,6,7,8-pentamethylnon-1-ene
SMILESC=CC(C)(C)CCC(C)C(C)C(C)C
InChIInChI=1S/C14H28/c1-8-14(6,7)10-9-12(4)13(5)11(2)3/h8,11-13H,1,9-10H2,2-7H3
InChIKeyNOHBSMBCAFATRF-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.91
Rot. Bonds6

About 3,3,6,7,8-pentamethylnon-1-ene

3,3,6,7,8-pentamethylnon-1-ene (PubChem CID 123898570) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 3,3,6,7,8-pentamethylnon-1-ene.

Molecular Properties

Compound Name3,3,6,7,8-pentamethylnon-1-ene
PubChem CID123898570
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name3,3,6,7,8-pentamethylnon-1-ene
SMILESC=CC(C)(C)CCC(C)C(C)C(C)C
InChIInChI=1S/C14H28/c1-8-14(6,7)10-9-12(4)13(5)11(2)3/h8,11-13H,1,9-10H2,2-7H3
InChIKeyNOHBSMBCAFATRF-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.91
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

3,3,6-trimethyloct-1-ene
CID 123906537
trimethyl(3,3,6,7,8-pentamethylnonyl)azanium
CID 123600184
2,3,6,7,8-pentamethylnonan-3-ol
CID 20659783
(5R)-2,5,6-trimethylheptan-2-ol
CID 10176245
3,3,6,6,9,9-hexamethyldeca-1,7-diene
CID 123209288
(3S,5R)-2,3,5,6-tetramethyl-3-prop-2-enoxyheptane
CID 59926274
2,2,3,4,4,7,8-heptamethylnonane
CID 123795211
ethane;2,3,6,6,9-pentamethyldecane
CID 156735822
2-tert-butyl-2,5,6-trimethylheptanoic acid
CID 123233538
7,7-dimethylnon-8-en-1-yn-4-yloxy(trimethyl)silane
CID 57216483
3,3-dimethylpent-1-ene;ethane
CID 142059460
3,4,5-trimethylhexyl formate
CID 87470323

Frequently Asked Questions

What is the IUPAC name of 3,3,6,7,8-pentamethylnon-1-ene?
The IUPAC name of 3,3,6,7,8-pentamethylnon-1-ene (CID 123898570) is 3,3,6,7,8-pentamethylnon-1-ene.
What is the SMILES notation for 3,3,6,7,8-pentamethylnon-1-ene?
The canonical SMILES for 3,3,6,7,8-pentamethylnon-1-ene is C=CC(C)(C)CCC(C)C(C)C(C)C.
What is the InChIKey of 3,3,6,7,8-pentamethylnon-1-ene?
The InChIKey is NOHBSMBCAFATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-8-14(6,7)10-9-12(4)13(5)11(2)3/h8,11-13H,1,9-10H2,2-7H3.
What are the key properties of 3,3,6,7,8-pentamethylnon-1-ene?
3,3,6,7,8-pentamethylnon-1-ene has a molecular weight of 196.38 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,7,8-pentamethylnon-1-ene is sourced from PubChem (CID 123898570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).