(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane

C14H30O — CID 158186042

IUPAC(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1.CC(C)C[C@H](C)O
InChIInChI=1S/C8H16.C6H14O/c1-7(2)8-5-3-4-6-8;1-5(2)4-6(3)7/h7-8H,3-6H2,1-2H3;5-7H,4H2,1-3H3/t;6-/m.0/s1
InChIKeyFZDMJULPARQQAK-ZCMDIHMWSA-N
MW214.39 g/mol
LogP4.25
Rot. Bonds3

About (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane

(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane (PubChem CID 158186042) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane.

Molecular Properties

Compound Name(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
PubChem CID158186042
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
SMILESCC(C)C1CCCC1.CC(C)C[C@H](C)O
InChIInChI=1S/C8H16.C6H14O/c1-7(2)8-5-3-4-6-8;1-5(2)4-6(3)7/h7-8H,3-6H2,1-2H3;5-7H,4H2,1-3H3/t;6-/m.0/s1
InChIKeyFZDMJULPARQQAK-ZCMDIHMWSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,3R)-1-cyclopentylbutane-1,3-diol
CID 130757763
propane;propan-2-ylcyclopentane
CID 91615250
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154
methane;(2R)-4-methylpentan-2-ol
CID 159585988
1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
CID 116756323
4-cyclohexylhexan-2-ol
CID 11830109
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
methane;propan-2-ylcyclotetradecane
CID 159882779
ethane-1,2-diol;4-methylpentan-2-ol
CID 158261198
ethane;methane;propan-2-ylcyclohexane
CID 169430642

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane?
The IUPAC name of (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane (CID 158186042) is (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane.
What is the SMILES notation for (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane?
The canonical SMILES for (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane is CC(C)C1CCCC1.CC(C)C[C@H](C)O.
What is the InChIKey of (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane?
The InChIKey is FZDMJULPARQQAK-ZCMDIHMWSA-N. The full InChI is InChI=1S/C8H16.C6H14O/c1-7(2)8-5-3-4-6-8;1-5(2)4-6(3)7/h7-8H,3-6H2,1-2H3;5-7H,4H2,1-3H3/t;6-/m.0/s1.
What are the key properties of (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane?
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane has a molecular weight of 214.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane is sourced from PubChem (CID 158186042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).