1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol

C16H28O — CID 143765861

IUPAC1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol
SMILESCC1=CCC(CC2C(C)C2(C)C(C)O)C1(C)C
InChIInChI=1S/C16H28O/c1-10-7-8-13(15(10,4)5)9-14-11(2)16(14,6)12(3)17/h7,11-14,17H,8-9H2,1-6H3
InChIKeyZARYYMUXRMZZSH-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.02
Rot. Bonds3

About 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol

1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol (PubChem CID 143765861) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol
PubChem CID143765861
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol
SMILESCC1=CCC(CC2C(C)C2(C)C(C)O)C1(C)C
InChIInChI=1S/C16H28O/c1-10-7-8-13(15(10,4)5)9-14-11(2)16(14,6)12(3)17/h7,11-14,17H,8-9H2,1-6H3
InChIKeyZARYYMUXRMZZSH-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol
CID 98048650
4-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-2-ol
CID 68811577
4-[(2,2,3-trimethylcyclopent-3-en-1-yl)methoxy]butan-2-ol
CID 118364177
(4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one
CID 7057526
1,5,5-trimethyl-4-propylcyclopentene
CID 90979763
[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl acetate
CID 101036086
1,5,5-trimethyl-4-(3-methylpentyl)cyclopentene
CID 91102839
ethyl (2R,5S)-5-hydroxy-2-methyl-3-oxo-6-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hexanoate
CID 124768703
(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
CID 6437265
(4S)-1,5,5-trimethyl-4-(nitrosomethyl)cyclopentene
CID 163857064
1,5,5-trimethyl-4-(3,4,5,5-tetramethylhexyl)cyclopentene
CID 140825138
5,7-dimethyl-2-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 142766230

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol (CID 143765861) is 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol is CC1=CCC(CC2C(C)C2(C)C(C)O)C1(C)C.
What is the InChIKey of 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol?
The InChIKey is ZARYYMUXRMZZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-10-7-8-13(15(10,4)5)9-14-11(2)16(14,6)12(3)17/h7,11-14,17H,8-9H2,1-6H3.
What are the key properties of 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol?
1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol has a molecular weight of 236.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 143765861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).