6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol

C19H38O2 — CID 143286899

IUPAC6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol
SMILESCCCCC1(C)C(CCCCC(C)(C)O)CCC1C(C)O
InChIInChI=1S/C19H38O2/c1-6-7-14-19(5)16(11-12-17(19)15(2)20)10-8-9-13-18(3,4)21/h15-17,20-21H,6-14H2,1-5H3
InChIKeyALDAWAKLAWNNGF-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.92
Rot. Bonds9

About 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol

6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol (PubChem CID 143286899) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol.

Molecular Properties

Compound Name6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol
PubChem CID143286899
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol
SMILESCCCCC1(C)C(CCCCC(C)(C)O)CCC1C(C)O
InChIInChI=1S/C19H38O2/c1-6-7-14-19(5)16(11-12-17(19)15(2)20)10-8-9-13-18(3,4)21/h15-17,20-21H,6-14H2,1-5H3
InChIKeyALDAWAKLAWNNGF-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methylheptane;2-methyl-6-[2-methyl-3-(4-propan-2-yl-5-propylcyclohex-3-en-1-yl)-2-propylcyclopentyl]hexan-2-ol
CID 142467849
(1R,3aR,4S,7R,7aR)-1-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-7-(7-hydroxy-7-methyloctyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 71481305
2-methyldodecan-2-ol
CID 547702
[(2S)-2-[(1R,3aR,4S,7R,7aR)-4-hydroxy-7-(7-hydroxy-7-methyloctyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] 4-methylbenzenesulfonate
CID 71483561
17-(5-hydroxy-5-methylhexyl)-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
CID 145388633
2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
CID 123673785
6-[(4E)-4-(2-aminoethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylhexan-2-ol
CID 166991092
(6R)-6-[(1R,3aS,7aR)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylheptan-2-ol
CID 175696060
gold;2-methylhexan-2-ol
CID 18513333
2-methylhexan-2-ol;yttrium
CID 58823506
5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol
CID 59005357
acetylene;ethane;6-[3-(2-hydroxypentyl)-4,9,13-trimethyl-2,3,4,7,8,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhexan-2-ol;methane
CID 142467859

Frequently Asked Questions

What is the IUPAC name of 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol?
The IUPAC name of 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol (CID 143286899) is 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol.
What is the SMILES notation for 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol?
The canonical SMILES for 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol is CCCCC1(C)C(CCCCC(C)(C)O)CCC1C(C)O.
What is the InChIKey of 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol?
The InChIKey is ALDAWAKLAWNNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-6-7-14-19(5)16(11-12-17(19)15(2)20)10-8-9-13-18(3,4)21/h15-17,20-21H,6-14H2,1-5H3.
What are the key properties of 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol?
6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol has a molecular weight of 298.51 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol is sourced from PubChem (CID 143286899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).