(3S)-3-cyclopropyl-4-methyloxane

C9H16O — CID 144510538

IUPAC(3S)-3-cyclopropyl-4-methyloxane
SMILESCC1CCOC[C@@H]1C1CC1
InChIInChI=1S/C9H16O/c1-7-4-5-10-6-9(7)8-2-3-8/h7-9H,2-6H2,1H3/t7?,9-/m0/s1
InChIKeyAAHXEQLQMVRKKZ-NETXQHHPSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds1

About (3S)-3-cyclopropyl-4-methyloxane

(3S)-3-cyclopropyl-4-methyloxane (PubChem CID 144510538) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-4-methyloxane.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-4-methyloxane
PubChem CID144510538
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3S)-3-cyclopropyl-4-methyloxane
SMILESCC1CCOC[C@@H]1C1CC1
InChIInChI=1S/C9H16O/c1-7-4-5-10-6-9(7)8-2-3-8/h7-9H,2-6H2,1H3/t7?,9-/m0/s1
InChIKeyAAHXEQLQMVRKKZ-NETXQHHPSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 89027512
(4-methyloxan-3-yl)phosphane
CID 145112092
(3S)-3-methyloxolane
CID 7857636
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decane
CID 58077971
(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen
CID 177003690
ethane;3-methoxy-4-methyloxane
CID 143656491
azane;4-cyclopropyloxan-3-amine;dihydrochloride
CID 67359568
(5S,6S)-5,6-dimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydropyrano[3,4-c]azepine
CID 177261989
3-(oxolan-3-yl)oxan-4-ol
CID 106471116
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
2-methylbicyclo[5.2.0]nonane
CID 90842882

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-4-methyloxane?
The IUPAC name of (3S)-3-cyclopropyl-4-methyloxane (CID 144510538) is (3S)-3-cyclopropyl-4-methyloxane.
What is the SMILES notation for (3S)-3-cyclopropyl-4-methyloxane?
The canonical SMILES for (3S)-3-cyclopropyl-4-methyloxane is CC1CCOC[C@@H]1C1CC1.
What is the InChIKey of (3S)-3-cyclopropyl-4-methyloxane?
The InChIKey is AAHXEQLQMVRKKZ-NETXQHHPSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-10-6-9(7)8-2-3-8/h7-9H,2-6H2,1H3/t7?,9-/m0/s1.
What are the key properties of (3S)-3-cyclopropyl-4-methyloxane?
(3S)-3-cyclopropyl-4-methyloxane has a molecular weight of 140.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-4-methyloxane is sourced from PubChem (CID 144510538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).