(1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol

C15H18O3 — CID 10729106

IUPAC(1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol
SMILESO[C@@]12C[C@@H]3[C@@H]4[C@@H]5C[C@@H]6[C@H]4[C@H]3[C@H]1C1(OCCO1)[C@H]6[C@@H]52
InChIInChI=1S/C15H18O3/c16-14-4-7-8-5-3-6-9(8)10(7)13(14)15(12(6)11(5)14)17-1-2-18-15/h5-13,16H,1-4H2/t5-,6+,7+,8-,9+,10-,11+,12+,13+,14+/m0/s1
InChIKeyOFDLACMKLPQUCW-XZFRXDJVSA-N
MW246.31 g/mol
LogP0.87
Rot. Bonds

About (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol

(1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol (PubChem CID 10729106) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol.

Molecular Properties

Compound Name(1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol
PubChem CID10729106
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol
SMILESO[C@@]12C[C@@H]3[C@@H]4[C@@H]5C[C@@H]6[C@H]4[C@H]3[C@H]1C1(OCCO1)[C@H]6[C@@H]52
InChIInChI=1S/C15H18O3/c16-14-4-7-8-5-3-6-9(8)10(7)13(14)15(12(6)11(5)14)17-1-2-18-15/h5-13,16H,1-4H2/t5-,6+,7+,8-,9+,10-,11+,12+,13+,14+/m0/s1
InChIKeyOFDLACMKLPQUCW-XZFRXDJVSA-N
XLogP0.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol with MolForge

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Related Compounds

(1'R,2'S,3'S,5'S,6'R,8'R,9'R,10'R)-1'-bromospiro[1,3-dioxolane-2,7'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]
CID 22525560
(1'R,5'S,6'S,7'S,8'S,9'R,10'S)-8'-methylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-ol
CID 146029301
(1'S,2'S,3'S,5'S,6'R,7'R,8'S,9'S,10'S)-7'-bromospiro[1,3-dioxolane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]
CID 129434303
(1'S,2'R,3'R,5'S,6'S,7'R,9'R,10'R)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one
CID 99722786
(1'R,2'R,3'S,5'S,6'S,7'R,9'S,10'S)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one
CID 98083900
(1S,2R,3R,5S,6S,8R,9S,10S)-pentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
CID 98530685
(1'R,2R,2'R,3'S,5'S,6'S,7'S,9'R,10'S)-spiro[oxirane-2,8'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]
CID 124710793
(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol
CID 124784892
12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]
CID 10060885
(1R,2R,3S,5S,6R,8R,9S,10S,11R)-7,7,11-tribromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-1-ol
CID 124764298
N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine
CID 15489265
(1R,2S,3R,5S,6S,7S,8R,9S,10S,11S)-11-bromo-7-methylpentacyclo[6.3.0.02,6.03,10.05,9]undecane-1,7-diol
CID 124925298

Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol?
The IUPAC name of (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol (CID 10729106) is (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol.
What is the SMILES notation for (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol?
The canonical SMILES for (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol is O[C@@]12C[C@@H]3[C@@H]4[C@@H]5C[C@@H]6[C@H]4[C@H]3[C@H]1C1(OCCO1)[C@H]6[C@@H]52.
What is the InChIKey of (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol?
The InChIKey is OFDLACMKLPQUCW-XZFRXDJVSA-N. The full InChI is InChI=1S/C15H18O3/c16-14-4-7-8-5-3-6-9(8)10(7)13(14)15(12(6)11(5)14)17-1-2-18-15/h5-13,16H,1-4H2/t5-,6+,7+,8-,9+,10-,11+,12+,13+,14+/m0/s1.
What are the key properties of (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol?
(1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol has a molecular weight of 246.31 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol is sourced from PubChem (CID 10729106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).