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(1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol

C20H28O2 — CID 155538786

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol
SMILESC=C1C2=C(C=C[C@@]34C[C@@H](CC[C@@H]13)[C@](C)(O)C4)C(C)(C)[C@@H](O)C2
InChIInChI=1S/C20H28O2/c1-12-14-9-17(21)18(2,3)16(14)7-8-20-10-13(5-6-15(12)20)19(4,22)11-20/h7-8,13,15,17,21-22H,1,5-6,9-11H2,2-4H3/t13-,15+,17+,19-,20+/m1/s1
InChIKeyMFIHKPFSCCPIBO-OSXSXUCASA-N
MW300.44 g/mol
LogP3.76
Rot. Bonds

About (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol

(1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol (PubChem CID 155538786) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol.

Molecular Properties

Compound Name(1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol
PubChem CID155538786
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol
SMILESC=C1C2=C(C=C[C@@]34C[C@@H](CC[C@@H]13)[C@](C)(O)C4)C(C)(C)[C@@H](O)C2
InChIInChI=1S/C20H28O2/c1-12-14-9-17(21)18(2,3)16(14)7-8-20-10-13(5-6-15(12)20)19(4,22)11-20/h7-8,13,15,17,21-22H,1,5-6,9-11H2,2-4H3/t13-,15+,17+,19-,20+/m1/s1
InChIKeyMFIHKPFSCCPIBO-OSXSXUCASA-N
XLogP3.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol?
The IUPAC name of (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol (CID 155538786) is (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol.
What is the SMILES notation for (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol?
The canonical SMILES for (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol is C=C1C2=C(C=C[C@@]34C[C@@H](CC[C@@H]13)[C@](C)(O)C4)C(C)(C)[C@@H](O)C2.
What is the InChIKey of (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol?
The InChIKey is MFIHKPFSCCPIBO-OSXSXUCASA-N. The full InChI is InChI=1S/C20H28O2/c1-12-14-9-17(21)18(2,3)16(14)7-8-20-10-13(5-6-15(12)20)19(4,22)11-20/h7-8,13,15,17,21-22H,1,5-6,9-11H2,2-4H3/t13-,15+,17+,19-,20+/m1/s1.
What are the key properties of (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol?
(1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol has a molecular weight of 300.44 g/mol, XLogP of 3.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,10R,13R,14R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadeca-2,4(8)-diene-6,14-diol is sourced from PubChem (CID 155538786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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