cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol

C11H22O2 — CID 92538664

IUPACcis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol
SMILESCCCOC1C[C@@H](C)C(O)[C@@H](C)C1
InChIInChI=1S/C11H22O2/c1-4-5-13-10-6-8(2)11(12)9(3)7-10/h8-12H,4-7H2,1-3H3/t8-,9+,10?,11?
InChIKeyZSBSCRJAILDMEV-IXBNRNDTSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds3

About cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol

cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol (PubChem CID 92538664) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol.

Molecular Properties

Compound Namecis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol
PubChem CID92538664
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namecis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol
SMILESCCCOC1C[C@@H](C)C(O)[C@@H](C)C1
InChIInChI=1S/C11H22O2/c1-4-5-13-10-6-8(2)11(12)9(3)7-10/h8-12H,4-7H2,1-3H3/t8-,9+,10?,11?
InChIKeyZSBSCRJAILDMEV-IXBNRNDTSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propoxycyclobutan-1-ol
CID 66343734
1-chloro-3-propoxycyclobutane
CID 66344084
2-propoxycyclopropan-1-ol
CID 174614862
(2R,3R,4R,5R,6S)-6-methyl-3-propoxyoxane-2,4,5-triol
CID 121254748
propoxycyclooctane
CID 54078990
4-propoxycyclohexane-1-carbonyl chloride
CID 13343846
3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol
CID 107942520
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
(2S,4R,6S)-2-methyl-6-propan-2-yloxy-4-propoxyoxane
CID 164538174
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
2,6-dimethyl-4-(2,4,6-trimethylcyclohexyl)oxycyclohexan-1-ol
CID 147660254
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919

Frequently Asked Questions

What is the IUPAC name of cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol?
The IUPAC name of cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol (CID 92538664) is cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol.
What is the SMILES notation for cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol?
The canonical SMILES for cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol is CCCOC1C[C@@H](C)C(O)[C@@H](C)C1.
What is the InChIKey of cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol?
The InChIKey is ZSBSCRJAILDMEV-IXBNRNDTSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-13-10-6-8(2)11(12)9(3)7-10/h8-12H,4-7H2,1-3H3/t8-,9+,10?,11?.
What are the key properties of cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol?
cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,6R)-2,6-dimethyl-4-propoxycyclohexan-1-ol is sourced from PubChem (CID 92538664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).