(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol

C15H30O2 — CID 59949582

IUPAC(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol
SMILESCC(C)(C)CCOC[C@@H](O)CC1CCCCC1
InChIInChI=1S/C15H30O2/c1-15(2,3)9-10-17-12-14(16)11-13-7-5-4-6-8-13/h13-14,16H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyFLVDGCMAVSLTPM-AWEZNQCLSA-N
MW242.40 g/mol
LogP3.77
Rot. Bonds6

About (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol

(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol (PubChem CID 59949582) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol
PubChem CID59949582
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol
SMILESCC(C)(C)CCOC[C@@H](O)CC1CCCCC1
InChIInChI=1S/C15H30O2/c1-15(2,3)9-10-17-12-14(16)11-13-7-5-4-6-8-13/h13-14,16H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyFLVDGCMAVSLTPM-AWEZNQCLSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666
1-cyclohexyl-2-(3,3-dimethylbutoxy)-N-methylethanamine
CID 104749574
1-(2-amino-2-methylbutoxy)-3-cyclopentylpropan-2-ol
CID 106940111
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473987
4-cyclohexyl-1-ethoxybutan-2-ol
CID 115818721
1-butoxy-3-(cyclopentylmethylsulfanyl)propan-2-ol
CID 107264112
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol?
The IUPAC name of (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol (CID 59949582) is (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol?
The canonical SMILES for (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol is CC(C)(C)CCOC[C@@H](O)CC1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol?
The InChIKey is FLVDGCMAVSLTPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30O2/c1-15(2,3)9-10-17-12-14(16)11-13-7-5-4-6-8-13/h13-14,16H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol?
(2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol has a molecular weight of 242.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-3-(3,3-dimethylbutoxy)propan-2-ol is sourced from PubChem (CID 59949582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).