1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol

C26H50O2 — CID 123485185

IUPAC1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol
SMILESC=C1OC(C(O)C(C)CCCCCCCCCCCCCCCC)C(C)C1C
InChIInChI=1S/C26H50O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)25(27)26-23(4)22(3)24(5)28-26/h21-23,25-27H,5-20H2,1-4H3
InChIKeyINUSIQGRFKNHGI-UHFFFAOYSA-N
MW394.68 g/mol
LogP8.04
Rot. Bonds17

About 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol

1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol (PubChem CID 123485185) has the molecular formula C26H50O2 and a molecular weight of 394.68 g/mol. Its IUPAC name is 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol
PubChem CID123485185
Molecular FormulaC26H50O2
Molecular Weight394.68 g/mol
Exact Mass394.38
IUPAC Name1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol
SMILESC=C1OC(C(O)C(C)CCCCCCCCCCCCCCCC)C(C)C1C
InChIInChI=1S/C26H50O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)25(27)26-23(4)22(3)24(5)28-26/h21-23,25-27H,5-20H2,1-4H3
InChIKeyINUSIQGRFKNHGI-UHFFFAOYSA-N
XLogP8.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
8,9-dimethylhexacosane
CID 160651612
11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
nonacosane-14,15-diol
CID 91509633
4-methyltetradecan-5-ol
CID 65149403
4-methyltetratriacontan-3-ol
CID 170847937
4-methyltricosan-3-ol
CID 171485506

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol?
The IUPAC name of 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol (CID 123485185) is 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol.
What is the SMILES notation for 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol?
The canonical SMILES for 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol is C=C1OC(C(O)C(C)CCCCCCCCCCCCCCCC)C(C)C1C.
What is the InChIKey of 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol?
The InChIKey is INUSIQGRFKNHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)25(27)26-23(4)22(3)24(5)28-26/h21-23,25-27H,5-20H2,1-4H3.
What are the key properties of 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol?
1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol has a molecular weight of 394.68 g/mol, XLogP of 8.04, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-5-methylideneoxolan-2-yl)-2-methyloctadecan-1-ol is sourced from PubChem (CID 123485185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).