(2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol

C15H26O — CID 57067427

IUPAC(2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol
SMILESCC1=CC[C@@H](C=CC(C)(C)[C@H](C)O)C1(C)C
InChIInChI=1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3/t12-,13-/m0/s1
InChIKeyQZFSNJAQFWEXEA-STQMWFEESA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds3

About (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol

(2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol (PubChem CID 57067427) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol
PubChem CID57067427
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol
SMILESCC1=CC[C@@H](C=CC(C)(C)[C@H](C)O)C1(C)C
InChIInChI=1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3/t12-,13-/m0/s1
InChIKeyQZFSNJAQFWEXEA-STQMWFEESA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-yl] 2-chloroacetate
CID 57224642
(E,2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol
CID 70099889
(2R,3S)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
CID 57112552
2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-3-en-1-ol
CID 54569326
[(3R)-4,4-dimethyl-6-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-5-en-3-yl] benzoate
CID 163178583
(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)-1-trimethylsilylpent-4-en-2-ol
CID 175737521
[(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl] 2-[2,4-di(propan-2-yl)benzoyl]benzoate
CID 12978132
sodium 3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-enoate
CID 74083694
2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol
CID 54239830
(4R)-4-hydroxy-3,3-dimethyl-5-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-one
CID 7057526
(2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol
CID 57155773
(NE)-N-[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-enylidene]hydroxylamine
CID 21467054

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol?
The IUPAC name of (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol (CID 57067427) is (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol.
What is the SMILES notation for (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol?
The canonical SMILES for (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol is CC1=CC[C@@H](C=CC(C)(C)[C@H](C)O)C1(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol?
The InChIKey is QZFSNJAQFWEXEA-STQMWFEESA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol?
(2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol is sourced from PubChem (CID 57067427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).