4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene

C18H34 — CID 91100441

IUPAC4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene
SMILESCCC=C(C)C(=CC(C)(C)CC(C)CC)C(C)C
InChIInChI=1S/C18H34/c1-9-11-16(6)17(14(3)4)13-18(7,8)12-15(5)10-2/h11,13-15H,9-10,12H2,1-8H3
InChIKeyWGJQRCUKMJOWMU-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.39
Rot. Bonds7

About 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene

4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene (PubChem CID 91100441) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene.

Molecular Properties

Compound Name4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene
PubChem CID91100441
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene
SMILESCCC=C(C)C(=CC(C)(C)CC(C)CC)C(C)C
InChIInChI=1S/C18H34/c1-9-11-16(6)17(14(3)4)13-18(7,8)12-15(5)10-2/h11,13-15H,9-10,12H2,1-8H3
InChIKeyWGJQRCUKMJOWMU-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 91386037
methane;2,2,4-trimethylhexane
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1-bromo-2-(bromomethyl)-2,4-dimethylhexane
CID 79453025
2,2,4-trimethylhexan-1-ol
CID 14747424
3-ethyl-4,4,6-trimethyloct-2-ene
CID 123752738
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
4,4,6-trimethyloctan-2-ol
CID 64717881
(3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane
CID 145382285
N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine
CID 170405604
4,5,6,8-tetramethyldec-3-ene
CID 123219035
2,2,4-trimethylhexanoic acid
CID 15564208

Frequently Asked Questions

What is the IUPAC name of 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene?
The IUPAC name of 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene (CID 91100441) is 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene.
What is the SMILES notation for 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene?
The canonical SMILES for 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene is CCC=C(C)C(=CC(C)(C)CC(C)CC)C(C)C.
What is the InChIKey of 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene?
The InChIKey is WGJQRCUKMJOWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-9-11-16(6)17(14(3)4)13-18(7,8)12-15(5)10-2/h11,13-15H,9-10,12H2,1-8H3.
What are the key properties of 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene?
4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene has a molecular weight of 250.47 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7,9-tetramethyl-5-propan-2-ylundeca-3,5-diene is sourced from PubChem (CID 91100441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).