(5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene

C26H50 — CID 142414694

IUPAC(5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene
SMILESC=CC(C)C[C@H](C)CC(C)(C)CCC(=C)C(C)C(C)[C@@H](C)C(CC)CC
InChIInChI=1S/C26H50/c1-12-19(4)17-20(5)18-26(10,11)16-15-21(6)22(7)23(8)24(9)25(13-2)14-3/h12,19-20,22-25H,1,6,13-18H2,2-5,7-11H3/t19?,20-,22?,23?,24+/m0/s1
InChIKeyFVYJWRXJAOLUOA-GHNTZOFMSA-N
MW362.69 g/mol
LogP8.93
Rot. Bonds14

About (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene

(5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene (PubChem CID 142414694) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene.

Molecular Properties

Compound Name(5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene
PubChem CID142414694
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name(5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene
SMILESC=CC(C)C[C@H](C)CC(C)(C)CCC(=C)C(C)C(C)[C@@H](C)C(CC)CC
InChIInChI=1S/C26H50/c1-12-19(4)17-20(5)18-26(10,11)16-15-21(6)22(7)23(8)24(9)25(13-2)14-3/h12,19-20,22-25H,1,6,13-18H2,2-5,7-11H3/t19?,20-,22?,23?,24+/m0/s1
InChIKeyFVYJWRXJAOLUOA-GHNTZOFMSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-trimethyloct-1-ene
CID 123557497
3,5,5-trimethylnon-8-en-1-ol
CID 123762841
(4R,6S,8S)-4,6,8-trimethyldec-9-en-3-one
CID 132821545
2,6,6-trimethyl-3-methylideneundecane
CID 123351712
3,3,5,7-tetramethylnonane
CID 57490983
6-ethyl-2,4,5-trimethyl-3-methylideneoctane
CID 123704785
3,5,5,8-tetramethyldecane
CID 57491683
3,6,9-triethyl-7,8-dimethylundec-1-ene
CID 123629227
3,5,6-trimethyloct-1-ene
CID 90839581
6-ethyl-3,7-dimethyl-5-methylideneoct-1-ene
CID 123651388
4-ethyl-2,3-dimethylhexa-1,5-diene
CID 54442334
3,5,6,6-tetramethyloct-1-ene
CID 123650579

Frequently Asked Questions

What is the IUPAC name of (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene?
The IUPAC name of (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene (CID 142414694) is (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene.
What is the SMILES notation for (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene?
The canonical SMILES for (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene is C=CC(C)C[C@H](C)CC(C)(C)CCC(=C)C(C)C(C)[C@@H](C)C(CC)CC.
What is the InChIKey of (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene?
The InChIKey is FVYJWRXJAOLUOA-GHNTZOFMSA-N. The full InChI is InChI=1S/C26H50/c1-12-19(4)17-20(5)18-26(10,11)16-15-21(6)22(7)23(8)24(9)25(13-2)14-3/h12,19-20,22-25H,1,6,13-18H2,2-5,7-11H3/t19?,20-,22?,23?,24+/m0/s1.
What are the key properties of (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene?
(5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene has a molecular weight of 362.69 g/mol, XLogP of 8.93, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,13S)-14-ethyl-3,5,7,7,11,12,13-heptamethyl-10-methylidenehexadec-1-ene is sourced from PubChem (CID 142414694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).