(2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol

C20H33ClO — CID 10064869

IUPAC(2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/C=C(\CO)C(C)C)CCl
InChIInChI=1S/C20H33ClO/c1-16(2)20(15-22)13-12-18(4)10-6-8-17(3)9-7-11-19(5)14-21/h8,11-13,16,22H,6-7,9-10,14-15H2,1-5H3/b17-8+,18-12+,19-11+,20-13+
InChIKeyBJBLTOLETXLFAX-UIHRRHQOSA-N
MW324.94 g/mol
LogP6.20
Rot. Bonds10

About (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol

(2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol (PubChem CID 10064869) has the molecular formula C20H33ClO and a molecular weight of 324.94 g/mol. Its IUPAC name is (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol.

Molecular Properties

Compound Name(2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol
PubChem CID10064869
Molecular FormulaC20H33ClO
Molecular Weight324.94 g/mol
Exact Mass324.22
IUPAC Name(2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/C=C(\CO)C(C)C)CCl
InChIInChI=1S/C20H33ClO/c1-16(2)20(15-22)13-12-18(4)10-6-8-17(3)9-7-11-19(5)14-21/h8,11-13,16,22H,6-7,9-10,14-15H2,1-5H3/b17-8+,18-12+,19-11+,20-13+
InChIKeyBJBLTOLETXLFAX-UIHRRHQOSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.94
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene
CID 88656729
(Z)-1-chloro-2,6-dimethylhept-2-ene
CID 59072785
[(2E,6E)-8-chloro-3,7-dimethylocta-2,6-dienyl] acetate
CID 10878979
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(6Z,10Z,14Z,18Z)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol
CID 25112523
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
[(1E,5E,9E)-11-chloro-3,3,6,10-tetramethylundeca-1,5,9-trienyl]-bis(3-methylbutan-2-yl)borane
CID 134886916
(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol?
The IUPAC name of (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol (CID 10064869) is (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol.
What is the SMILES notation for (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol?
The canonical SMILES for (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol is C/C(=C\CC/C(C)=C/CC/C(C)=C/C=C(\CO)C(C)C)CCl.
What is the InChIKey of (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol?
The InChIKey is BJBLTOLETXLFAX-UIHRRHQOSA-N. The full InChI is InChI=1S/C20H33ClO/c1-16(2)20(15-22)13-12-18(4)10-6-8-17(3)9-7-11-19(5)14-21/h8,11-13,16,22H,6-7,9-10,14-15H2,1-5H3/b17-8+,18-12+,19-11+,20-13+.
What are the key properties of (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol?
(2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol has a molecular weight of 324.94 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,8E,12E)-14-chloro-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraen-1-ol is sourced from PubChem (CID 10064869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).