(1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate

C17H32O3 — CID 154204845

IUPAC(1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate
SMILESC=C(CCO)CC(CC(C)CCCC(C)C)OC(C)=O
InChIInChI=1S/C17H32O3/c1-13(2)7-6-8-14(3)11-17(20-16(5)19)12-15(4)9-10-18/h13-14,17-18H,4,6-12H2,1-3,5H3
InChIKeyDKOQZWXFSFLQDJ-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.10
Rot. Bonds11

About (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate

(1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate (PubChem CID 154204845) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate.

Molecular Properties

Compound Name(1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate
PubChem CID154204845
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate
SMILESC=C(CCO)CC(CC(C)CCCC(C)C)OC(C)=O
InChIInChI=1S/C17H32O3/c1-13(2)7-6-8-14(3)11-17(20-16(5)19)12-15(4)9-10-18/h13-14,17-18H,4,6-12H2,1-3,5H3
InChIKeyDKOQZWXFSFLQDJ-UHFFFAOYSA-N
XLogP4.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate?
The IUPAC name of (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate (CID 154204845) is (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate.
What is the SMILES notation for (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate?
The canonical SMILES for (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate is C=C(CCO)CC(CC(C)CCCC(C)C)OC(C)=O.
What is the InChIKey of (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate?
The InChIKey is DKOQZWXFSFLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-13(2)7-6-8-14(3)11-17(20-16(5)19)12-15(4)9-10-18/h13-14,17-18H,4,6-12H2,1-3,5H3.
What are the key properties of (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate?
(1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate has a molecular weight of 284.44 g/mol, XLogP of 4.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-7,11-dimethyl-3-methylidenedodecan-5-yl) acetate is sourced from PubChem (CID 154204845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).