(4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol

C20H32O4 — CID 3042241

IUPAC(4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol
SMILESC=C1[C@@H]2CCC3[C@H](O)C2(CC[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O
InChIInChI=1S/C20H32O4/c1-11-12-5-6-13-16(22)19(12,10-18(13,4)23)7-8-20(24)14(11)9-15(21)17(20,2)3/h12-16,21-24H,1,5-10H2,2-4H3/t12-,13?,14-,15-,16-,18+,19?,20+/m0/s1
InChIKeyNZTJHNLXZBZINC-FJEMKRONSA-N
MW336.47 g/mol
LogP2.00
Rot. Bonds

About (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol

(4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol (PubChem CID 3042241) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol.

Molecular Properties

Compound Name(4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol
PubChem CID3042241
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol
SMILESC=C1[C@@H]2CCC3[C@H](O)C2(CC[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O
InChIInChI=1S/C20H32O4/c1-11-12-5-6-13-16(22)19(12,10-18(13,4)23)7-8-20(24)14(11)9-15(21)17(20,2)3/h12-16,21-24H,1,5-10H2,2-4H3/t12-,13?,14-,15-,16-,18+,19?,20+/m0/s1
InChIKeyNZTJHNLXZBZINC-FJEMKRONSA-N
XLogP2.00
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol?
The IUPAC name of (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol (CID 3042241) is (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol.
What is the SMILES notation for (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol?
The canonical SMILES for (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol is C=C1[C@@H]2CCC3[C@H](O)C2(CC[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O.
What is the InChIKey of (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol?
The InChIKey is NZTJHNLXZBZINC-FJEMKRONSA-N. The full InChI is InChI=1S/C20H32O4/c1-11-12-5-6-13-16(22)19(12,10-18(13,4)23)7-8-20(24)14(11)9-15(21)17(20,2)3/h12-16,21-24H,1,5-10H2,2-4H3/t12-,13?,14-,15-,16-,18+,19?,20+/m0/s1.
What are the key properties of (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol?
(4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol has a molecular weight of 336.47 g/mol, XLogP of 2.00, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol is sourced from PubChem (CID 3042241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).