trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol

C10H20O2 — CID 70559750

IUPACtrans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
SMILESCC1CC[C@H](C(C)C)[C@H](O)C1O
InChIInChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3/t7?,8-,9?,10+/m1/s1
InChIKeyWQFGPARDTSBVLU-RGWUEKKESA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds1

About trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol

trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol (PubChem CID 70559750) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol.

Molecular Properties

Compound Nametrans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
PubChem CID70559750
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Nametrans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
SMILESCC1CC[C@H](C(C)C)[C@H](O)C1O
InChIInChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3/t7?,8-,9?,10+/m1/s1
InChIKeyWQFGPARDTSBVLU-RGWUEKKESA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol?
The IUPAC name of trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol (CID 70559750) is trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol.
What is the SMILES notation for trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol?
The canonical SMILES for trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol is CC1CC[C@H](C(C)C)[C@H](O)C1O.
What is the InChIKey of trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol?
The InChIKey is WQFGPARDTSBVLU-RGWUEKKESA-N. The full InChI is InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3/t7?,8-,9?,10+/m1/s1.
What are the key properties of trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol?
trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol is sourced from PubChem (CID 70559750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).