3,3,5,5-tetramethylnona-1,8-diene

C13H24 — CID 91102311

IUPAC3,3,5,5-tetramethylnona-1,8-diene
SMILESC=CCCC(C)(C)CC(C)(C)C=C
InChIInChI=1S/C13H24/c1-7-9-10-13(5,6)11-12(3,4)8-2/h7-8H,1-2,9-11H2,3-6H3
InChIKeyKLYULMQULLRTMQ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.58
Rot. Bonds6

About 3,3,5,5-tetramethylnona-1,8-diene

3,3,5,5-tetramethylnona-1,8-diene (PubChem CID 91102311) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3,3,5,5-tetramethylnona-1,8-diene.

Molecular Properties

Compound Name3,3,5,5-tetramethylnona-1,8-diene
PubChem CID91102311
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3,3,5,5-tetramethylnona-1,8-diene
SMILESC=CCCC(C)(C)CC(C)(C)C=C
InChIInChI=1S/C13H24/c1-7-9-10-13(5,6)11-12(3,4)8-2/h7-8H,1-2,9-11H2,3-6H3
InChIKeyKLYULMQULLRTMQ-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.58
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

(2S)-5,5,7,7-tetramethyl-1-sulfanylnon-8-en-2-ol
CID 144831329
2,5,5-trimethylnona-1,8-diene
CID 59085403
3-(bromomethyl)-3-methylhepta-1,6-diene
CID 165447101
3,5,5-trimethylnon-8-en-1-ol
CID 123762841
5,5-bis(ethenyl)nona-1,8-diene
CID 100960520
2-methylhex-5-en-2-amine;hydrobromide
CID 173131592
methane;prop-1-ene;3,3,5,5-tetramethylhex-1-ene
CID 142214554
3,3-dimethyl-N-propan-2-ylhept-6-en-1-amine
CID 81022245
6,6-dichloro-5,5-dimethylhex-1-ene
CID 10375046
2,2-dimethylhex-5-enyl 2-iodoacetate
CID 89391673
2,2-dimethylhept-6-en-1-ol
CID 12063159
2-hydroxy-2-methylhex-5-enenitrile
CID 22561336

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethylnona-1,8-diene?
The IUPAC name of 3,3,5,5-tetramethylnona-1,8-diene (CID 91102311) is 3,3,5,5-tetramethylnona-1,8-diene.
What is the SMILES notation for 3,3,5,5-tetramethylnona-1,8-diene?
The canonical SMILES for 3,3,5,5-tetramethylnona-1,8-diene is C=CCCC(C)(C)CC(C)(C)C=C.
What is the InChIKey of 3,3,5,5-tetramethylnona-1,8-diene?
The InChIKey is KLYULMQULLRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-7-9-10-13(5,6)11-12(3,4)8-2/h7-8H,1-2,9-11H2,3-6H3.
What are the key properties of 3,3,5,5-tetramethylnona-1,8-diene?
3,3,5,5-tetramethylnona-1,8-diene has a molecular weight of 180.33 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylnona-1,8-diene is sourced from PubChem (CID 91102311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).