4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene

C27H50 — CID 173053646

IUPAC4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene
SMILESC=CCC(C)CC(C)CC(CCC(C)=CCC(C)C)(CCC(C)C)C(=C)C
InChIInChI=1S/C27H50/c1-11-12-25(9)19-26(10)20-27(23(6)7,17-15-22(4)5)18-16-24(8)14-13-21(2)3/h11,14,21-22,25-26H,1,6,12-13,15-20H2,2-5,7-10H3
InChIKeyBDIFHZSFYRBHHP-UHFFFAOYSA-N
MW374.70 g/mol
LogP9.39
Rot. Bonds15

About 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene

4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene (PubChem CID 173053646) has the molecular formula C27H50 and a molecular weight of 374.70 g/mol. Its IUPAC name is 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene.

Molecular Properties

Compound Name4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene
PubChem CID173053646
Molecular FormulaC27H50
Molecular Weight374.70 g/mol
Exact Mass374.39
IUPAC Name4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene
SMILESC=CCC(C)CC(C)CC(CCC(C)=CCC(C)C)(CCC(C)C)C(=C)C
InChIInChI=1S/C27H50/c1-11-12-25(9)19-26(10)20-27(23(6)7,17-15-22(4)5)18-16-24(8)14-13-21(2)3/h11,14,21-22,25-26H,1,6,12-13,15-20H2,2-5,7-10H3
InChIKeyBDIFHZSFYRBHHP-UHFFFAOYSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.70
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene?
The IUPAC name of 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene (CID 173053646) is 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene.
What is the SMILES notation for 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene?
The canonical SMILES for 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene is C=CCC(C)CC(C)CC(CCC(C)=CCC(C)C)(CCC(C)C)C(=C)C.
What is the InChIKey of 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene?
The InChIKey is BDIFHZSFYRBHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50/c1-11-12-25(9)19-26(10)20-27(23(6)7,17-15-22(4)5)18-16-24(8)14-13-21(2)3/h11,14,21-22,25-26H,1,6,12-13,15-20H2,2-5,7-10H3.
What are the key properties of 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene?
4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene has a molecular weight of 374.70 g/mol, XLogP of 9.39, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,11,14-tetramethyl-8-(3-methylbutyl)-8-prop-1-en-2-ylpentadeca-1,11-diene is sourced from PubChem (CID 173053646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).