(4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol

C15H26O2 — CID 101162781

IUPAC(4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol
SMILESCC1=CC[C@H]([C@]2(C)C[C@H](O)CC(C)(C)O2)CC1
InChIInChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15-/m0/s1
InChIKeyHVVOZYCLCTUNCX-GUTXKFCHSA-N
MW238.37 g/mol
LogP3.44
Rot. Bonds1

About (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol

(4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol (PubChem CID 101162781) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol.

Molecular Properties

Compound Name(4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol
PubChem CID101162781
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol
SMILESCC1=CC[C@H]([C@]2(C)C[C@H](O)CC(C)(C)O2)CC1
InChIInChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15-/m0/s1
InChIKeyHVVOZYCLCTUNCX-GUTXKFCHSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[2,5-dimethyl-2-(4-methylcyclohex-3-en-1-yl)-3H-furan-4-yl]ethanone
CID 10633477
5-hydroxy-2,6,6-trimethyl-2-(4-methylcyclohex-3-en-1-yl)pyran-3-one
CID 163045523
sodium 5-methyl-5-[(1R)-4-methylcyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 90486303
methyl 2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropane-1-carboxylate
CID 101343434
(1S,3Z,7R)-4,11,11-trimethylbicyclo[5.3.1]undec-3-en-8-one
CID 10998207
ethyl 5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-4H-1,2-oxazole-3-carboxylate
CID 126965212
4-hydroxy-2-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-3H-1-benzofuran-7-carbaldehyde
CID 10401039
4-hydroxy-2-methyl-2-(4-methylcyclohex-3-en-1-yl)-3H-1-benzofuran-7-carbaldehyde
CID 19028266
(3Z)-4-methylcyclooct-3-en-1-ol
CID 23092761
(4S)-1-methyl-4-[(Z)-4-[2-[(1S)-4-methylcyclohex-3-en-1-yl]oxiran-2-yl]but-2-en-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 129167846
(2S,4aR,10bR)-2,5,5-trimethyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]-3,4,4a,10b-tetrahydropyrano[3,2-c]chromene
CID 7375000
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
CID 15939522

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol?
The IUPAC name of (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol (CID 101162781) is (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol.
What is the SMILES notation for (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol?
The canonical SMILES for (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol is CC1=CC[C@H]([C@]2(C)C[C@H](O)CC(C)(C)O2)CC1.
What is the InChIKey of (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol?
The InChIKey is HVVOZYCLCTUNCX-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15-/m0/s1.
What are the key properties of (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol?
(4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol has a molecular weight of 238.37 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-ol is sourced from PubChem (CID 101162781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).