(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

C14H18O3 — CID 146029301

IUPAC(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
SMILESC[C@]1(O)[C@@H]2[C@H]3CC4C5[C@H]3[C@H]1[C@@H]5C1(OCCO1)[C@@H]42
InChIInChI=1S/C14H18O3/c1-13(15)9-5-4-6-8-7(5)11(13)12(8)14(10(6)9)16-2-3-17-14/h5-12,15H,2-4H2,1H3/t5-,6?,7-,8?,9+,10-,11-,12+,13-/m0/s1
InChIKeyHKJIFTUVVWBTBF-SYOCONDMSA-N
MW234.29 g/mol
LogP0.87
Rot. Bonds

About (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

(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 (PubChem CID 146029301) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146029301
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(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
SMILESC[C@]1(O)[C@@H]2[C@H]3CC4C5[C@H]3[C@H]1[C@@H]5C1(OCCO1)[C@@H]42
InChIInChI=1S/C14H18O3/c1-13(15)9-5-4-6-8-7(5)11(13)12(8)14(10(6)9)16-2-3-17-14/h5-12,15H,2-4H2,1H3/t5-,6?,7-,8?,9+,10-,11-,12+,13-/m0/s1
InChIKeyHKJIFTUVVWBTBF-SYOCONDMSA-N
XLogP0.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

(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
(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'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
(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
N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine
CID 15489265
(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
(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
CID 124807375
(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
12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]
CID 10060885
(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
(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
(2'S,3'R,6'S,7'R)-4'-bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]
CID 98554868

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@]1(O)[C@@H]2[C@H]3CC4C5[C@H]3[C@H]1[C@@H]5C1(OCCO1)[C@@H]42.
What is the InChIKey of (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?
The InChIKey is HKJIFTUVVWBTBF-SYOCONDMSA-N. The full InChI is InChI=1S/C14H18O3/c1-13(15)9-5-4-6-8-7(5)11(13)12(8)14(10(6)9)16-2-3-17-14/h5-12,15H,2-4H2,1H3/t5-,6?,7-,8?,9+,10-,11-,12+,13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 234.29 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,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 is sourced from PubChem (CID 146029301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).