Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl-

C17H28O4 — CID 581584

IUPAC—
SMILESCC1OC2(CCC3CCC4(OC(C)C(C)O4)C32C)OC1C
InChIInChI=1S/C17H28O4/c1-10-11(2)19-16(18-10)8-6-14-7-9-17(15(14,16)5)20-12(3)13(4)21-17/h10-14H,6-9H2,1-5H3
InChIKeyANRLKQBLANDWIH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.24
Rot. Bonds

About Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl-

Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl- (PubChem CID 581584) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol.

Molecular Properties

Compound NameDispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl-
PubChem CID581584
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name—
SMILESCC1OC2(CCC3CCC4(OC(C)C(C)O4)C32C)OC1C
InChIInChI=1S/C17H28O4/c1-10-11(2)19-16(18-10)8-6-14-7-9-17(15(14,16)5)20-12(3)13(4)21-17/h10-14H,6-9H2,1-5H3
InChIKeyANRLKQBLANDWIH-UHFFFAOYSA-N
XLogP3.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl- with MolForge

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Related Compounds

(3aR,3bR,6aS,7aR)-3a,5,5-trimethylspiro[1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]
CID 13967844
3'-methylspiro[1,3-dioxolane-2,6'-2,3,3a,4,5,6a-hexahydro-1H-pentalene]
CID 18682713
2,5-Ditert-butylspiro[1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene-7,2'-1,3-dioxolane]
CID 59523080
4-[4-[[2-(3,3-Dimethylcyclopentyl)-4,4-dimethylcyclopentyl]methoxy]butoxymethyl]-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
CID 122676780
CID 10729619
CID 10729619
(1'S,3A'S,6A'S)-1',3A',6A'-Trimethyl-1'-(2-(2-methyl-1,3-dioxolan-2-YL)ethyl)hexahydro-1'H-spiro[[1,3]dioxolane-2,2'-pentalene]
CID 90482618
(1R,3aR,6aS)-6a-methylspiro[1,2,3,3a,4,5-hexahydropentalene-6,2'-1,3-dioxolane]-1-ol
CID 130848088
3a-Methylspiro[1,2,3,4,5,6a-hexahydropentalene-6,2'-1,3-dioxolane]-1-ol
CID 133632542
6a-Methylspiro[1,2,3,3a,4,5-hexahydropentalene-6,2'-1,3-dioxolane]-1-ol
CID 133679950

Frequently Asked Questions

What is the IUPAC name of Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl-?
The IUPAC name of Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl- (CID 581584) is not available.
What is the SMILES notation for Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl-?
The canonical SMILES for Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl- is CC1OC2(CCC3CCC4(OC(C)C(C)O4)C32C)OC1C.
What is the InChIKey of Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl-?
The InChIKey is ANRLKQBLANDWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-10-11(2)19-16(18-10)8-6-14-7-9-17(15(14,16)5)20-12(3)13(4)21-17/h10-14H,6-9H2,1-5H3.
What are the key properties of Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl-?
Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl- has a molecular weight of 296.41 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Dispiro[pentalene-1,2':6,2''-bis(1,3-dioxolane)], hexahydro-6a,4',5',4'',5''-pentamethyl- is sourced from PubChem (CID 581584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).