(4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran

C12H22O — CID 158209023

IUPAC(4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
SMILESCCC(C)C1OC(C)=C[C@@H](C)C1C
InChIInChI=1S/C12H22O/c1-6-8(2)12-11(5)9(3)7-10(4)13-12/h7-9,11-12H,6H2,1-5H3/t8?,9-,11?,12?/m1/s1
InChIKeyGBVMVCRENUUTGB-QGHFROFYSA-N
MW182.31 g/mol
LogP3.61
Rot. Bonds2

About (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran

(4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran (PubChem CID 158209023) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
PubChem CID158209023
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran
SMILESCCC(C)C1OC(C)=C[C@@H](C)C1C
InChIInChI=1S/C12H22O/c1-6-8(2)12-11(5)9(3)7-10(4)13-12/h7-9,11-12H,6H2,1-5H3/t8?,9-,11?,12?/m1/s1
InChIKeyGBVMVCRENUUTGB-QGHFROFYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexene, 4-ethoxy-1-methyl-4-(1-methylethyl)-
CID 108303
Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-
CID 117385
2,6-Diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 567148
(2s,3s)-2,6-Diethyl-3,5-dimethyl-3,4-dihydro-2h-pyran
CID 91701224
3,4-Dihydro-2H-pyran, 3-isopropyl-6-methyl-2-(3-methylcyclopent-2-enyl)
CID 6428357
1-Methyl-4-(2-propoxypropan-2-yl)cyclohex-1-ene
CID 12814399
14-Methyl-16-oxabicyclo[10.3.1]hexadec-12-ene
CID 18961697
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 122448719
2-(1-Fluoroethoxy)-7,8-dimethylnon-2-ene
CID 123166155
4-Fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 130216765
(2R,4S,4aS)-2,4-dimethyl-3,4,4a,5,6,7-hexahydro-2H-chromene
CID 134895871

Frequently Asked Questions

What is the IUPAC name of (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran (CID 158209023) is (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran is CCC(C)C1OC(C)=C[C@@H](C)C1C.
What is the InChIKey of (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
The InChIKey is GBVMVCRENUUTGB-QGHFROFYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-8(2)12-11(5)9(3)7-10(4)13-12/h7-9,11-12H,6H2,1-5H3/t8?,9-,11?,12?/m1/s1.
What are the key properties of (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran?
(4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran has a molecular weight of 182.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-butan-2-yl-3,4,6-trimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 158209023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).