(3R)-3,5-dimethyl-2-propyloxolane;ethane

C11H24O — CID 156747522

IUPAC(3R)-3,5-dimethyl-2-propyloxolane;ethane
SMILESCC.CCCC1OC(C)C[C@H]1C
InChIInChI=1S/C9H18O.C2H6/c1-4-5-9-7(2)6-8(3)10-9;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8?,9?;/m1./s1
InChIKeyCCKXKESPEUHIBJ-CHHXHTNCSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds2

About (3R)-3,5-dimethyl-2-propyloxolane;ethane

(3R)-3,5-dimethyl-2-propyloxolane;ethane (PubChem CID 156747522) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is (3R)-3,5-dimethyl-2-propyloxolane;ethane.

Molecular Properties

Compound Name(3R)-3,5-dimethyl-2-propyloxolane;ethane
PubChem CID156747522
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name(3R)-3,5-dimethyl-2-propyloxolane;ethane
SMILESCC.CCCC1OC(C)C[C@H]1C
InChIInChI=1S/C9H18O.C2H6/c1-4-5-9-7(2)6-8(3)10-9;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8?,9?;/m1./s1
InChIKeyCCKXKESPEUHIBJ-CHHXHTNCSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13861
Furan, 2-heptyltetrahydro-
CID 102816
Furan, tetrahydro-2-octyl-
CID 110735
Cyclododeca(c)furan, tetradecahydro-
CID 170687
Cetyl Dimethylbutyl Ether
CID 9883836
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
Tetradecahydrocyclododeca[b]furan
CID 14687820
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
5-(Oxolan-2-ylmethyl)heptan-2-ol
CID 551274
(Ethoxymethyl)cyclododecane
CID 3018713
Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropyl)-
CID 520663
2-Hexyltetrahydrofuran
CID 551183

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dimethyl-2-propyloxolane;ethane?
The IUPAC name of (3R)-3,5-dimethyl-2-propyloxolane;ethane (CID 156747522) is (3R)-3,5-dimethyl-2-propyloxolane;ethane.
What is the SMILES notation for (3R)-3,5-dimethyl-2-propyloxolane;ethane?
The canonical SMILES for (3R)-3,5-dimethyl-2-propyloxolane;ethane is CC.CCCC1OC(C)C[C@H]1C.
What is the InChIKey of (3R)-3,5-dimethyl-2-propyloxolane;ethane?
The InChIKey is CCKXKESPEUHIBJ-CHHXHTNCSA-N. The full InChI is InChI=1S/C9H18O.C2H6/c1-4-5-9-7(2)6-8(3)10-9;1-2/h7-9H,4-6H2,1-3H3;1-2H3/t7-,8?,9?;/m1./s1.
What are the key properties of (3R)-3,5-dimethyl-2-propyloxolane;ethane?
(3R)-3,5-dimethyl-2-propyloxolane;ethane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dimethyl-2-propyloxolane;ethane is sourced from PubChem (CID 156747522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).