2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene

C16H28 — CID 58242815

IUPAC2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
SMILESCC(C)=CCC(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C16H28/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h7-9,16H,10-12H2,1-6H3
InChIKeyYKSNJIIIEULZFG-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.67
Rot. Bonds6

About 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene

2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene (PubChem CID 58242815) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene.

Molecular Properties

Compound Name2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
PubChem CID58242815
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
SMILESCC(C)=CCC(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C16H28/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h7-9,16H,10-12H2,1-6H3
InChIKeyYKSNJIIIEULZFG-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.67
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

(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300
2-amino-5-methylhex-4-en-1-ol
CID 55254047
(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566
2,5-dimethylhept-2-ene;ethane
CID 144650208
5-chloro-2,6-dimethylocta-2,6-diene
CID 71325447
(4S)-3,4,7-trimethyloct-6-enal
CID 89108155
2-(3-methylbut-2-enyl)butanedial
CID 88557096
(2E)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 22323960
2-chloro-5-methylhex-4-enoic acid
CID 88706204
(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 154496007
(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
CID 129379674
(5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne
CID 134995226

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene?
The IUPAC name of 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene (CID 58242815) is 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene.
What is the SMILES notation for 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene?
The canonical SMILES for 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene is CC(C)=CCC(CC=C(C)C)CC=C(C)C.
What is the InChIKey of 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene?
The InChIKey is YKSNJIIIEULZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h7-9,16H,10-12H2,1-6H3.
What are the key properties of 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene?
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene has a molecular weight of 220.40 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene is sourced from PubChem (CID 58242815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).