[7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane

C28H52 — CID 91268284

IUPAC[7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane
SMILESC=C(C)CC(C(=CC)C1CCCC1)C(CCC)CC(C)C(C)C(C)C(C)CC
InChIInChI=1S/C28H52/c1-10-15-26(19-22(7)24(9)23(8)21(6)11-2)28(18-20(4)5)27(12-3)25-16-13-14-17-25/h12,21-26,28H,4,10-11,13-19H2,1-3,5-9H3
InChIKeyPZSACGBZEXZEFF-UHFFFAOYSA-N
MW388.72 g/mol
LogP9.47
Rot. Bonds13

About [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane

[7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane (PubChem CID 91268284) has the molecular formula C28H52 and a molecular weight of 388.72 g/mol. Its IUPAC name is [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane.

Molecular Properties

Compound Name[7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane
PubChem CID91268284
Molecular FormulaC28H52
Molecular Weight388.72 g/mol
Exact Mass388.41
IUPAC Name[7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane
SMILESC=C(C)CC(C(=CC)C1CCCC1)C(CCC)CC(C)C(C)C(C)C(C)CC
InChIInChI=1S/C28H52/c1-10-15-26(19-22(7)24(9)23(8)21(6)11-2)28(18-20(4)5)27(12-3)25-16-13-14-17-25/h12,21-26,28H,4,10-11,13-19H2,1-3,5-9H3
InChIKeyPZSACGBZEXZEFF-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.72
LogP ≤ 59.47
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 [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane?
The IUPAC name of [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane (CID 91268284) is [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane.
What is the SMILES notation for [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane?
The canonical SMILES for [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane is C=C(C)CC(C(=CC)C1CCCC1)C(CCC)CC(C)C(C)C(C)C(C)CC.
What is the InChIKey of [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane?
The InChIKey is PZSACGBZEXZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52/c1-10-15-26(19-22(7)24(9)23(8)21(6)11-2)28(18-20(4)5)27(12-3)25-16-13-14-17-25/h12,21-26,28H,4,10-11,13-19H2,1-3,5-9H3.
What are the key properties of [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane?
[7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane has a molecular weight of 388.72 g/mol, XLogP of 9.47, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [7,8,9,10-tetramethyl-4-(2-methylprop-2-enyl)-5-propyldodec-2-en-3-yl]cyclopentane is sourced from PubChem (CID 91268284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).