(1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]

C22H34O2 — CID 177487653

IUPAC(1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]13CC4(OCCO4)[C@@]4(C)C[C@@H]1[C@]32C4
InChIInChI=1S/C22H34O2/c1-17(2)7-5-8-19(4)15(17)6-9-20-14-22(23-10-11-24-22)18(3)12-16(20)21(19,20)13-18/h15-16H,5-14H2,1-4H3/t15-,16-,18-,19-,20+,21-/m0/s1
InChIKeyAHKXBNZAHBXBJE-NTLOSGPDSA-N
MW330.51 g/mol
LogP5.16
Rot. Bonds

About (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]

(1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane] (PubChem CID 177487653) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane].

Molecular Properties

Compound Name(1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]
PubChem CID177487653
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name(1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]13CC4(OCCO4)[C@@]4(C)C[C@@H]1[C@]32C4
InChIInChI=1S/C22H34O2/c1-17(2)7-5-8-19(4)15(17)6-9-20-14-22(23-10-11-24-22)18(3)12-16(20)21(19,20)13-18/h15-16H,5-14H2,1-4H3/t15-,16-,18-,19-,20+,21-/m0/s1
InChIKeyAHKXBNZAHBXBJE-NTLOSGPDSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane] with MolForge

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Related Compounds

3a,6,6,9a-tetramethyl-1,2,4,5,5a,7,8,9-octahydrobenzo[e][1]benzofuran-9b-ol
CID 57019683
[(1'S,2'S,7'S,9'S,10'S,13'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-tetracyclo[11.2.1.01,10.02,7]hexadecane]-9'-yl] acetate
CID 10596580
5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-chromene
CID 19873304
2-[(1'S,4'aS,8'aS)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,4a,6,7,8-hexahydro-1H-naphthalene]-1'-yl]butanoic acid
CID 57374739
(4aS,7R,8aR)-4,4,8a-trimethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxetane]
CID 134927611
(3aR,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 11107366
(3aS,5aS,9aR,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838595
(1R,2R,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,2-diol
CID 11219065
2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane
CID 539256
(1S,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-1-ynyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane
CID 11140255
(1S,2S,7R,10R,12S)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-one
CID 98136961
(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran;(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran;3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 159370591

Frequently Asked Questions

What is the IUPAC name of (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]?
The IUPAC name of (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane] (CID 177487653) is (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane].
What is the SMILES notation for (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]?
The canonical SMILES for (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane] is CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]13CC4(OCCO4)[C@@]4(C)C[C@@H]1[C@]32C4.
What is the InChIKey of (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]?
The InChIKey is AHKXBNZAHBXBJE-NTLOSGPDSA-N. The full InChI is InChI=1S/C22H34O2/c1-17(2)7-5-8-19(4)15(17)6-9-20-14-22(23-10-11-24-22)18(3)12-16(20)21(19,20)13-18/h15-16H,5-14H2,1-4H3/t15-,16-,18-,19-,20+,21-/m0/s1.
What are the key properties of (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane]?
(1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane] has a molecular weight of 330.51 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'S,7'S,10'R,13'S,15'S)-2',6',6',13'-tetramethylspiro[1,3-dioxolane-2,12'-pentacyclo[11.2.1.01,10.02,7.010,15]hexadecane] is sourced from PubChem (CID 177487653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).