cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane

C11H22O — CID 130223743

IUPACcis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
SMILESCC(C)OC1C[C@@H](C)C[C@@H](C)C1
InChIInChI=1S/C11H22O/c1-8(2)12-11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3/t9-,10+,11?
InChIKeyUPVRGPGHCXCQFH-ZACCUICWSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds2

About cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane

cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane (PubChem CID 130223743) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane.

Molecular Properties

Compound Namecis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
PubChem CID130223743
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namecis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
SMILESCC(C)OC1C[C@@H](C)C[C@@H](C)C1
InChIInChI=1S/C11H22O/c1-8(2)12-11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3/t9-,10+,11?
InChIKeyUPVRGPGHCXCQFH-ZACCUICWSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane?
The IUPAC name of cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane (CID 130223743) is cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane.
What is the SMILES notation for cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane?
The canonical SMILES for cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane is CC(C)OC1C[C@@H](C)C[C@@H](C)C1.
What is the InChIKey of cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane?
The InChIKey is UPVRGPGHCXCQFH-ZACCUICWSA-N. The full InChI is InChI=1S/C11H22O/c1-8(2)12-11-6-9(3)5-10(4)7-11/h8-11H,5-7H2,1-4H3/t9-,10+,11?.
What are the key properties of cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane?
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane is sourced from PubChem (CID 130223743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).