(E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol

C16H28O — CID 20658905

IUPAC(E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol
SMILESCC1=CCC(C(C)/C(C)=C(\C)C(C)O)C1(C)C
InChIInChI=1S/C16H28O/c1-10-8-9-15(16(10,6)7)13(4)11(2)12(3)14(5)17/h8,13-15,17H,9H2,1-7H3/b12-11+
InChIKeyMQTODLXKTSXIDR-VAWYXSNFSA-N
MW236.40 g/mol
LogP4.33
Rot. Bonds3

About (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol

(E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol (PubChem CID 20658905) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol.

Molecular Properties

Compound Name(E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol
PubChem CID20658905
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol
SMILESCC1=CCC(C(C)/C(C)=C(\C)C(C)O)C1(C)C
InChIInChI=1S/C16H28O/c1-10-8-9-15(16(10,6)7)13(4)11(2)12(3)14(5)17/h8,13-15,17H,9H2,1-7H3/b12-11+
InChIKeyMQTODLXKTSXIDR-VAWYXSNFSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-(2,2,3-trimethylcyclopent-3-en-1-yl)propanoate
CID 10352658
4-[1-(1,2-dimethyl-2-prop-1-en-2-ylcyclopropyl)ethyl]-1,5,5-trimethylcyclopentene
CID 20658909
ethyl (Z,4R)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-2-enoate
CID 171651995
(E,2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol
CID 70099889
(2S,3R)-3-methyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pentan-2-ol
CID 98048650
(2R,3S)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
CID 57112552
(2S)-3,3-dimethyl-5-[(1S)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-2-ol
CID 57067427
1-[1,2-dimethyl-3-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclopropyl]ethanol
CID 143765861
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
(E)-4-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-ol
CID 6437265

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol?
The IUPAC name of (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol (CID 20658905) is (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol.
What is the SMILES notation for (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol?
The canonical SMILES for (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol is CC1=CCC(C(C)/C(C)=C(\C)C(C)O)C1(C)C.
What is the InChIKey of (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol?
The InChIKey is MQTODLXKTSXIDR-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H28O/c1-10-8-9-15(16(10,6)7)13(4)11(2)12(3)14(5)17/h8,13-15,17H,9H2,1-7H3/b12-11+.
What are the key properties of (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol?
(E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol has a molecular weight of 236.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-3-en-2-ol is sourced from PubChem (CID 20658905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).