10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol

C19H38O3 — CID 142528966

IUPAC10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol
SMILESC=CC(C)CC(C)C(O)CCC(C)C(CCCC)(OC)OC
InChIInChI=1S/C19H38O3/c1-8-10-13-19(21-6,22-7)17(5)11-12-18(20)16(4)14-15(3)9-2/h9,15-18,20H,2,8,10-14H2,1,3-7H3
InChIKeyXHWBXJXKNDAFPM-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.79
Rot. Bonds13

About 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol

10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol (PubChem CID 142528966) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol.

Molecular Properties

Compound Name10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol
PubChem CID142528966
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol
SMILESC=CC(C)CC(C)C(O)CCC(C)C(CCCC)(OC)OC
InChIInChI=1S/C19H38O3/c1-8-10-13-19(21-6,22-7)17(5)11-12-18(20)16(4)14-15(3)9-2/h9,15-18,20H,2,8,10-14H2,1,3-7H3
InChIKeyXHWBXJXKNDAFPM-UHFFFAOYSA-N
XLogP4.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,6R,7S)-3,7-dimethyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]non-8-ene-2,4,6-triol
CID 11210991
(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol
CID 23249217
(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol
CID 46855551
(5R,7S)-7-methylnon-8-ene-1,5-diol
CID 102302201
(2R,3R,4S,5R)-2,4-dimethylnon-8-ene-1,3,5-triol
CID 124221669
(2S,3S,4S)-4-[(4S,5R,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-methylpentane-1,3-diol
CID 134844232
(2S,3R,4S)-2-[(2S)-3,5-dimethyl-6-propan-2-yloxyoxan-2-yl]-4-methylhex-5-en-3-ol
CID 134854734
(4S,5S,6R,8R)-5-(methoxymethoxy)-6-[2-(methoxymethoxy)ethyl]-4,8-dimethylundeca-1,10-diene-3,9-diol
CID 134878462
(10R,11S)-11-ethenyl-13-methyltetradecane-1,10-diol
CID 164669241
3,7,11,15-Tetramethylhexadec-1-en-5-ol
CID 143671
7-Methyltrideca-1,12-diene-5,9-diol
CID 58965875
(2R)-1-[(1R,5R,6R)-6-(1,1-dimethoxyethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]pent-4-en-2-ol
CID 69637011

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol?
The IUPAC name of 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol (CID 142528966) is 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol.
What is the SMILES notation for 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol?
The canonical SMILES for 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol is C=CC(C)CC(C)C(O)CCC(C)C(CCCC)(OC)OC.
What is the InChIKey of 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol?
The InChIKey is XHWBXJXKNDAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-8-10-13-19(21-6,22-7)17(5)11-12-18(20)16(4)14-15(3)9-2/h9,15-18,20H,2,8,10-14H2,1,3-7H3.
What are the key properties of 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol?
10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol has a molecular weight of 314.51 g/mol, XLogP of 4.79, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol is sourced from PubChem (CID 142528966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).