(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane

C11H18O2 — CID 168806834

IUPAC(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
SMILESCC(C)C1C2CO[C@H]3OCC1C3C2
InChIInChI=1S/C11H18O2/c1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7/h6-11H,3-5H2,1-2H3/t7?,8?,9?,10?,11-/m0/s1
InChIKeyASMLNHHDHSCOCE-FIJQTJJSSA-N
MW182.26 g/mol
LogP1.90
Rot. Bonds1

About (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane

(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane (PubChem CID 168806834) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane.

Molecular Properties

Compound Name(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
PubChem CID168806834
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
SMILESCC(C)C1C2CO[C@H]3OCC1C3C2
InChIInChI=1S/C11H18O2/c1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7/h6-11H,3-5H2,1-2H3/t7?,8?,9?,10?,11-/m0/s1
InChIKeyASMLNHHDHSCOCE-FIJQTJJSSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-tert-butyl-3,5-dioxatricyclo[5.2.1.04,8]decane
CID 162490501
methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 160985964
(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 168806691
3-propan-2-yltricyclo[3.1.1.12,4]octane
CID 176821598
2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane
CID 130985864
2-[(4S,7S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl]acetic acid
CID 154650166
ethyl 2-[(4S,7S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl]acetate
CID 154650169
(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 129384273
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane
CID 142869266
2-propan-2-yl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 59623064
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
CID 91310355

Frequently Asked Questions

What is the IUPAC name of (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The IUPAC name of (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane (CID 168806834) is (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane.
What is the SMILES notation for (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The canonical SMILES for (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane is CC(C)C1C2CO[C@H]3OCC1C3C2.
What is the InChIKey of (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane?
The InChIKey is ASMLNHHDHSCOCE-FIJQTJJSSA-N. The full InChI is InChI=1S/C11H18O2/c1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7/h6-11H,3-5H2,1-2H3/t7?,8?,9?,10?,11-/m0/s1.
What are the key properties of (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane?
(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane has a molecular weight of 182.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane is sourced from PubChem (CID 168806834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).