(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]

C17H30O3 — CID 142407594

IUPAC(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
SMILESCC(C)[C@H]1CCC2(C)CCC3(OCCO3)C(C)(C)[C@@H]2O1
InChIInChI=1S/C17H30O3/c1-12(2)13-6-7-16(5)8-9-17(18-10-11-19-17)15(3,4)14(16)20-13/h12-14H,6-11H2,1-5H3/t13-,14+,16?/m1/s1
InChIKeyBNVLCOYXAGJNDL-CNYCQXTOSA-N
MW282.42 g/mol
LogP3.76
Rot. Bonds1

About (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]

(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene] (PubChem CID 142407594) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene].

Molecular Properties

Compound Name(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
PubChem CID142407594
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
SMILESCC(C)[C@H]1CCC2(C)CCC3(OCCO3)C(C)(C)[C@@H]2O1
InChIInChI=1S/C17H30O3/c1-12(2)13-6-7-16(5)8-9-17(18-10-11-19-17)15(3,4)14(16)20-13/h12-14H,6-11H2,1-5H3/t13-,14+,16?/m1/s1
InChIKeyBNVLCOYXAGJNDL-CNYCQXTOSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene] with MolForge

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Related Compounds

(4'aS,8'aR)-2'-ethyl-4'a,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
CID 166892307
2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
CID 134997635
(2S,4aS,8aR)-7-hydroxy-4a,8,8-trimethyl-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-chromene-6-carbaldehyde
CID 166892312
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 135272503
(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
(4aS,7S,8aR)-4a,9,9-trimethyl-7-propan-2-yl-5,6,7,8a-tetrahydro-4H-pyrano[3,2-f][1,2]benzoxazole
CID 152958258
4a,9,9-trimethyl-7-propan-2-yl-5,6,7,8a-tetrahydro-4H-pyrano[3,2-f][1,2]benzoxazole
CID 142407579
(2R,4aS,8aR)-6-isocyano-4a,8,8-trimethyl-2-propan-2-yl-2,3,4,8a-tetrahydrochromen-7-one
CID 153302234
2,6-di(propan-2-yl)oxane
CID 58987631
5,5-dimethyl-2-propan-2-yloxane;ethane
CID 142101718
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]
CID 130022319

Frequently Asked Questions

What is the IUPAC name of (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]?
The IUPAC name of (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene] (CID 142407594) is (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene].
What is the SMILES notation for (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]?
The canonical SMILES for (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene] is CC(C)[C@H]1CCC2(C)CCC3(OCCO3)C(C)(C)[C@@H]2O1.
What is the InChIKey of (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]?
The InChIKey is BNVLCOYXAGJNDL-CNYCQXTOSA-N. The full InChI is InChI=1S/C17H30O3/c1-12(2)13-6-7-16(5)8-9-17(18-10-11-19-17)15(3,4)14(16)20-13/h12-14H,6-11H2,1-5H3/t13-,14+,16?/m1/s1.
What are the key properties of (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]?
(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene] has a molecular weight of 282.42 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene] is sourced from PubChem (CID 142407594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).