3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol

C19H34O2 — CID 90799998

IUPAC3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol
SMILESC=C(C)C1=CCC(C)CCCCCC(O)CC(C)C(O)C1
InChIInChI=1S/C19H34O2/c1-14(2)17-11-10-15(3)8-6-5-7-9-18(20)12-16(4)19(21)13-17/h11,15-16,18-21H,1,5-10,12-13H2,2-4H3
InChIKeyZSMBVZDRWCVGKX-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.62
Rot. Bonds1

About 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol

3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol (PubChem CID 90799998) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol.

Molecular Properties

Compound Name3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol
PubChem CID90799998
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol
SMILESC=C(C)C1=CCC(C)CCCCCC(O)CC(C)C(O)C1
InChIInChI=1S/C19H34O2/c1-14(2)17-11-10-15(3)8-6-5-7-9-18(20)12-16(4)19(21)13-17/h11,15-16,18-21H,1,5-10,12-13H2,2-4H3
InChIKeyZSMBVZDRWCVGKX-UHFFFAOYSA-N
XLogP4.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol?
The IUPAC name of 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol (CID 90799998) is 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol.
What is the SMILES notation for 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol?
The canonical SMILES for 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol is C=C(C)C1=CCC(C)CCCCCC(O)CC(C)C(O)C1.
What is the InChIKey of 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol?
The InChIKey is ZSMBVZDRWCVGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-14(2)17-11-10-15(3)8-6-5-7-9-18(20)12-16(4)19(21)13-17/h11,15-16,18-21H,1,5-10,12-13H2,2-4H3.
What are the key properties of 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol?
3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol has a molecular weight of 294.48 g/mol, XLogP of 4.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-6-prop-1-en-2-ylcyclotetradec-6-ene-1,4-diol is sourced from PubChem (CID 90799998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).