trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol

C9H18O3 — CID 14642489

IUPACtrans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol
SMILESCC(C)OC1[C@H](O)CCC[C@H]1O
InChIInChI=1S/C9H18O3/c1-6(2)12-9-7(10)4-3-5-8(9)11/h6-11H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyGCVNMCQJLKSWIC-HTQZYQBOSA-N
MW174.24 g/mol
LogP0.69
Rot. Bonds2

About trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol

trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol (PubChem CID 14642489) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol
PubChem CID14642489
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nametrans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol
SMILESCC(C)OC1[C@H](O)CCC[C@H]1O
InChIInChI=1S/C9H18O3/c1-6(2)12-9-7(10)4-3-5-8(9)11/h6-11H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyGCVNMCQJLKSWIC-HTQZYQBOSA-N
XLogP0.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(1E,5R)-5-propan-2-yloxycyclooctene
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(6S,7R,8S,8aR)-7-propan-2-yloxy-1,2,3,5,6,7,8,8a-octahydroindolizine-6,8-diol
CID 10242390
2-[(2S)-1-cyclobutylpropan-2-yl]cyclopropan-1-ol
CID 89335033
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol
CID 11309669
2-(3-hydroxybutan-2-yl)cyclopentan-1-ol
CID 79424723
1-methoxy-2-propan-2-yloxycyclopentane
CID 77170188
propan-2-yloxycycloundecane
CID 91254526
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
cis-(1R,2S)-2-propan-2-yloxycyclopentan-1-amine
CID 94519427

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol?
The IUPAC name of trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol (CID 14642489) is trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol.
What is the SMILES notation for trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol?
The canonical SMILES for trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol is CC(C)OC1[C@H](O)CCC[C@H]1O.
What is the InChIKey of trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol?
The InChIKey is GCVNMCQJLKSWIC-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18O3/c1-6(2)12-9-7(10)4-3-5-8(9)11/h6-11H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol?
trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol has a molecular weight of 174.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol is sourced from PubChem (CID 14642489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).