(5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane

C15H24O3 — CID 101092012

IUPAC(5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane
SMILESC1CO[C@]2(C1)CC[C@]1(CCCO1)[C@@]1(CCCO1)C2
InChIInChI=1S/C15H24O3/c1-4-13(16-9-1)7-8-14(5-2-10-17-14)15(12-13)6-3-11-18-15/h1-12H2/t13-,14-,15-/m1/s1
InChIKeyWVGHVUNEKYLWRG-RBSFLKMASA-N
MW252.35 g/mol
LogP2.82
Rot. Bonds

About (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane

(5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane (PubChem CID 101092012) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane.

Molecular Properties

Compound Name(5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane
PubChem CID101092012
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane
SMILESC1CO[C@]2(C1)CC[C@]1(CCCO1)[C@@]1(CCCO1)C2
InChIInChI=1S/C15H24O3/c1-4-13(16-9-1)7-8-14(5-2-10-17-14)15(12-13)6-3-11-18-15/h1-12H2/t13-,14-,15-/m1/s1
InChIKeyWVGHVUNEKYLWRG-RBSFLKMASA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
methanol;4-oxaspiro[2.4]heptane
CID 144744375
1-oxaspiro[4.5]decan-8-amine
CID 67070405
7,16-dioxatrispiro[5.1.1.510.28.26]nonadecane
CID 11817934
(3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]
CID 135195190
(7S)-7-butyl-7-methyl-1-oxaspiro[4.5]decane
CID 170720979
7,11-dioxaspiro[5.6]dodecane
CID 122692865
12-oxatricyclo[5.4.3.01,7]tetradecane
CID 102405571
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
methanamine;molecular hydrogen;1-oxaspiro[3.5]nonane
CID 171551994
N,N-dimethyl-1-oxaspiro[4.5]decan-8-amine
CID 58035405
ethane;9-methyl-1-oxaspiro[5.5]undecane
CID 145047739

Frequently Asked Questions

What is the IUPAC name of (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane?
The IUPAC name of (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane (CID 101092012) is (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane.
What is the SMILES notation for (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane?
The canonical SMILES for (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane is C1CO[C@]2(C1)CC[C@]1(CCCO1)[C@@]1(CCCO1)C2.
What is the InChIKey of (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane?
The InChIKey is WVGHVUNEKYLWRG-RBSFLKMASA-N. The full InChI is InChI=1S/C15H24O3/c1-4-13(16-9-1)7-8-14(5-2-10-17-14)15(12-13)6-3-11-18-15/h1-12H2/t13-,14-,15-/m1/s1.
What are the key properties of (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane?
(5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane has a molecular weight of 252.35 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,12R)-4,7,13-trioxatrispiro[4.0.46.1.412.25]octadecane is sourced from PubChem (CID 101092012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).