(1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]

C23H36O2 — CID 135033184

IUPAC(1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]
SMILESC=C1C[C@]23[C@@H](CC[C@H]4C(C)(C)CCC[C@@]42C)CC(C)C2(OCCO2)[C@@H]13
InChIInChI=1S/C23H36O2/c1-15-14-22-17(13-16(2)23(19(15)22)24-11-12-25-23)7-8-18-20(3,4)9-6-10-21(18,22)5/h16-19H,1,6-14H2,2-5H3/t16?,17-,18-,19-,21-,22+/m0/s1
InChIKeyKFIRJCIJJUFXFU-BDMXUCKVSA-N
MW344.54 g/mol
LogP5.57
Rot. Bonds

About (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]

(1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane] (PubChem CID 135033184) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane].

Molecular Properties

Compound Name(1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]
PubChem CID135033184
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name(1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]
SMILESC=C1C[C@]23[C@@H](CC[C@H]4C(C)(C)CCC[C@@]42C)CC(C)C2(OCCO2)[C@@H]13
InChIInChI=1S/C23H36O2/c1-15-14-22-17(13-16(2)23(19(15)22)24-11-12-25-23)7-8-18-20(3,4)9-6-10-21(18,22)5/h16-19H,1,6-14H2,2-5H3/t16?,17-,18-,19-,21-,22+/m0/s1
InChIKeyKFIRJCIJJUFXFU-BDMXUCKVSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane] with MolForge

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Related Compounds

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CID 134577052
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CID 177487653
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CID 71608620
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Frequently Asked Questions

What is the IUPAC name of (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]?
The IUPAC name of (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane] (CID 135033184) is (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane].
What is the SMILES notation for (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]?
The canonical SMILES for (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane] is C=C1C[C@]23[C@@H](CC[C@H]4C(C)(C)CCC[C@@]42C)CC(C)C2(OCCO2)[C@@H]13.
What is the InChIKey of (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]?
The InChIKey is KFIRJCIJJUFXFU-BDMXUCKVSA-N. The full InChI is InChI=1S/C23H36O2/c1-15-14-22-17(13-16(2)23(19(15)22)24-11-12-25-23)7-8-18-20(3,4)9-6-10-21(18,22)5/h16-19H,1,6-14H2,2-5H3/t16?,17-,18-,19-,21-,22+/m0/s1.
What are the key properties of (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]?
(1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane] has a molecular weight of 344.54 g/mol, XLogP of 5.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane] is sourced from PubChem (CID 135033184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).