2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate

C21H40O3 — CID 23286533

IUPAC2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C(=O)OCCO
InChIInChI=1S/C21H40O3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21(23)24-16-15-22/h17-19,22H,5-16H2,1-4H3
InChIKeyRWYLKRVLNLEFIP-UHFFFAOYSA-N
MW340.55 g/mol
LogP5.52
Rot. Bonds15

About 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate

2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate (PubChem CID 23286533) has the molecular formula C21H40O3 and a molecular weight of 340.55 g/mol. Its IUPAC name is 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate.

Molecular Properties

Compound Name2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate
PubChem CID23286533
Molecular FormulaC21H40O3
Molecular Weight340.55 g/mol
Exact Mass340.30
IUPAC Name2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C(=O)OCCO
InChIInChI=1S/C21H40O3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21(23)24-16-15-22/h17-19,22H,5-16H2,1-4H3
InChIKeyRWYLKRVLNLEFIP-UHFFFAOYSA-N
XLogP5.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 174563366
pentyl 5-methyl-2-methylidenehexanoate
CID 175083218
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CID 175422489
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
8-hydroxy-6-methyl-2-methylideneoctanoic acid
CID 87276335
methyl 8-methyl-2-methylidenenonanoate
CID 141066722
8-methylnonyl 2-[2-(8-methylnonoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 165388741
bis(4-methylpentyl) oxalate
CID 6420411
2-[2-[2-[2-[2-(3,7-dimethyloctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102323659
bis(7-methyloctyl) 2-methylidenebutanedioate
CID 89414973
ethyl 10-methyl-2-methylidenedodecanoate
CID 139878414
3-(16-methylheptadecoxycarbonyl)but-3-enoic acid
CID 90733703

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate?
The IUPAC name of 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate (CID 23286533) is 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate.
What is the SMILES notation for 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate?
The canonical SMILES for 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate is C=C(CCCC(C)CCCC(C)CCCC(C)C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate?
The InChIKey is RWYLKRVLNLEFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)21(23)24-16-15-22/h17-19,22H,5-16H2,1-4H3.
What are the key properties of 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate?
2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate has a molecular weight of 340.55 g/mol, XLogP of 5.52, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 6,10,14-trimethyl-2-methylidenepentadecanoate is sourced from PubChem (CID 23286533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).