(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane

C12H20O2 — CID 101092010

IUPAC(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
SMILESC1CO[C@@]2(C1)CCC[C@]1(CCCO1)C2
InChIInChI=1S/C12H20O2/c1-4-11(6-2-8-13-11)10-12(5-1)7-3-9-14-12/h1-10H2/t11-,12+
InChIKeyZPDGAXYJKLPABC-TXEJJXNPSA-N
MW196.29 g/mol
LogP2.66
Rot. Bonds

About (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane

(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane (PubChem CID 101092010) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane.

Molecular Properties

Compound Name(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
PubChem CID101092010
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
SMILESC1CO[C@@]2(C1)CCC[C@]1(CCCO1)C2
InChIInChI=1S/C12H20O2/c1-4-11(6-2-8-13-11)10-12(5-1)7-3-9-14-12/h1-10H2/t11-,12+
InChIKeyZPDGAXYJKLPABC-TXEJJXNPSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane
CID 101092012
methanol;4-oxaspiro[2.4]heptane
CID 144744375
(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane
CID 170720979
1-oxaspiro[4.5]decan-8-amine
CID 67070405
7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane
CID 11817934
7,11-dioxaspiro[5.6]dodecane
CID 122692865
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane
CID 171551994
ethane;9-methyl-1-oxaspiro[5.5]undecane
CID 145047739
N,N-dimethyl-1-oxaspiro[4.5]decan-8-amine
CID 58035405
1-oxaspiro[4.5]decane-8-carbonitrile
CID 67072839
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane?
The IUPAC name of (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane (CID 101092010) is (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane.
What is the SMILES notation for (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane?
The canonical SMILES for (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane is C1CO[C@@]2(C1)CCC[C@]1(CCCO1)C2.
What is the InChIKey of (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane?
The InChIKey is ZPDGAXYJKLPABC-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-11(6-2-8-13-11)10-12(5-1)7-3-9-14-12/h1-10H2/t11-,12+.
What are the key properties of (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane?
(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane has a molecular weight of 196.29 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane is sourced from PubChem (CID 101092010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).