5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene

C15H28O — CID 144723505

IUPAC5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCCC(C)(OC)C1CC2C(C)CC(C)C2C1
InChIInChI=1S/C15H28O/c1-6-15(4,16-5)12-8-13-10(2)7-11(3)14(13)9-12/h10-14H,6-9H2,1-5H3
InChIKeyUQGNISFRFPAMBB-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.12
Rot. Bonds3

About 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene

5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 144723505) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID144723505
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCCC(C)(OC)C1CC2C(C)CC(C)C2C1
InChIInChI=1S/C15H28O/c1-6-15(4,16-5)12-8-13-10(2)7-11(3)14(13)9-12/h10-14H,6-9H2,1-5H3
InChIKeyUQGNISFRFPAMBB-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene 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

(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
5-(2-methoxybutan-2-yl)pyrrolidin-3-ol
CID 130713260
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
2-(1-methoxy-2-methylpropan-2-yl)-1,3-dimethylcyclobutane
CID 123659775
methoxymethane;4-(methoxymethyl)-8-methyltricyclo[5.2.1.02,6]decane
CID 144931262
1-(3,4-dimethylcyclohexyl)-2-methoxy-2-methylbutan-1-one
CID 116746737
1,2-dimethylcyclopropane;propane
CID 143337919
(1S,2R,3S,5R)-3-(2-methoxypropan-2-yl)-5-methylcyclopentane-1,2-diol
CID 90368969
1,3-dimethyl-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59893526
2-propoxybutan-2-ylcyclopentane
CID 158420288

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 144723505) is 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene is CCC(C)(OC)C1CC2C(C)CC(C)C2C1.
What is the InChIKey of 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is UQGNISFRFPAMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-6-15(4,16-5)12-8-13-10(2)7-11(3)14(13)9-12/h10-14H,6-9H2,1-5H3.
What are the key properties of 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 224.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxybutan-2-yl)-1,3-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 144723505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).