(1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol

C20H34O2 — CID 15715159

IUPAC(1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol
SMILESCC(C)=CCC[C@@H](C)[C@@H]1CC/C(C)=C/C[C@H](O)/C(C)=C/[C@@H]1O
InChIInChI=1S/C20H34O2/c1-14(2)7-6-8-16(4)18-11-9-15(3)10-12-19(21)17(5)13-20(18)22/h7,10,13,16,18-22H,6,8-9,11-12H2,1-5H3/b15-10+,17-13+/t16-,18+,19+,20+/m1/s1
InChIKeyOXWXNRAARMNGON-YPCCVXNOSA-N
MW306.49 g/mol
LogP4.78
Rot. Bonds4

About (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol

(1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol (PubChem CID 15715159) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol.

Molecular Properties

Compound Name(1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol
PubChem CID15715159
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol
SMILESCC(C)=CCC[C@@H](C)[C@@H]1CC/C(C)=C/C[C@H](O)/C(C)=C/[C@@H]1O
InChIInChI=1S/C20H34O2/c1-14(2)7-6-8-16(4)18-11-9-15(3)10-12-19(21)17(5)13-20(18)22/h7,10,13,16,18-22H,6,8-9,11-12H2,1-5H3/b15-10+,17-13+/t16-,18+,19+,20+/m1/s1
InChIKeyOXWXNRAARMNGON-YPCCVXNOSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol?
The IUPAC name of (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol (CID 15715159) is (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol.
What is the SMILES notation for (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol?
The canonical SMILES for (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol is CC(C)=CCC[C@@H](C)[C@@H]1CC/C(C)=C/C[C@H](O)/C(C)=C/[C@@H]1O.
What is the InChIKey of (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol?
The InChIKey is OXWXNRAARMNGON-YPCCVXNOSA-N. The full InChI is InChI=1S/C20H34O2/c1-14(2)7-6-8-16(4)18-11-9-15(3)10-12-19(21)17(5)13-20(18)22/h7,10,13,16,18-22H,6,8-9,11-12H2,1-5H3/b15-10+,17-13+/t16-,18+,19+,20+/m1/s1.
What are the key properties of (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol?
(1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol has a molecular weight of 306.49 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,4S,6E,10S)-3,7-dimethyl-10-[(2R)-6-methylhept-5-en-2-yl]cyclodeca-2,6-diene-1,4-diol is sourced from PubChem (CID 15715159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).