2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol

C20H32O3 — CID 54612931

IUPAC2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol
SMILESC=C1CCC(C(C)C)C2C1C1CC(C)(O)C3CCC(C)(O3)C2O1
InChIInChI=1S/C20H32O3/c1-11(2)13-7-6-12(3)16-14-10-19(4,21)15-8-9-20(5,23-15)18(22-14)17(13)16/h11,13-18,21H,3,6-10H2,1-2,4-5H3
InChIKeyVYEDTAFUFNTUOQ-UHFFFAOYSA-N
MW320.47 g/mol
LogP3.70
Rot. Bonds1

About 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol

2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol (PubChem CID 54612931) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol.

Molecular Properties

Compound Name2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol
PubChem CID54612931
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol
SMILESC=C1CCC(C(C)C)C2C1C1CC(C)(O)C3CCC(C)(O3)C2O1
InChIInChI=1S/C20H32O3/c1-11(2)13-7-6-12(3)16-14-10-19(4,21)15-8-9-20(5,23-15)18(22-14)17(13)16/h11,13-18,21H,3,6-10H2,1-2,4-5H3
InChIKeyVYEDTAFUFNTUOQ-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sclerophytin A
CID 11325231
Pachycladin D
CID 46833117
Sclerophytin F Methyl Ether
CID 46888486
Cladiellaperoxide
CID 10567735
Cladiellisin
CID 44567169
Patagonicol
CID 21635654
(1R,2R,3R,7R,8S,9S,10R,11S,14R)-10,14-dimethyl-6-methylidene-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,10,11,14-tetrol
CID 14313364
(1R,2R,6R,7R,8R,9S,12S,13S)-12-methoxy-9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,13-diol
CID 21635655
Vigulariol
CID 11484048
(1R,2R,6R,7R,8R,9S,12S,13S)-12-ethoxy-9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,13-diol
CID 102488225
(1R,2S,5S,6S,8R,9S,13R,14S)-2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,6.09,14]hexadecan-5-ol
CID 162908330
(1S,2R,6R,7R,8S,9S,12R)-9-methyl-3,13-dimethylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecane-9,12-diol
CID 162946094

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol?
The IUPAC name of 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol (CID 54612931) is 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol.
What is the SMILES notation for 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol?
The canonical SMILES for 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol is C=C1CCC(C(C)C)C2C1C1CC(C)(O)C3CCC(C)(O3)C2O1.
What is the InChIKey of 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol?
The InChIKey is VYEDTAFUFNTUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-11(2)13-7-6-12(3)16-14-10-19(4,21)15-8-9-20(5,23-15)18(22-14)17(13)16/h11,13-18,21H,3,6-10H2,1-2,4-5H3.
What are the key properties of 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol?
2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol has a molecular weight of 320.47 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-10-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-6-ol is sourced from PubChem (CID 54612931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).