2,18-dimethyl-3-methylideneicosane

C23H46 — CID 123398512

IUPAC2,18-dimethyl-3-methylideneicosane
SMILESC=C(CCCCCCCCCCCCCCC(C)CC)C(C)C
InChIInChI=1S/C23H46/c1-6-22(4)19-17-15-13-11-9-7-8-10-12-14-16-18-20-23(5)21(2)3/h21-22H,5-20H2,1-4H3
InChIKeyYDBYOWOQWQIPRS-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.71
Rot. Bonds17

About 2,18-dimethyl-3-methylideneicosane

2,18-dimethyl-3-methylideneicosane (PubChem CID 123398512) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 2,18-dimethyl-3-methylideneicosane.

Molecular Properties

Compound Name2,18-dimethyl-3-methylideneicosane
PubChem CID123398512
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name2,18-dimethyl-3-methylideneicosane
SMILESC=C(CCCCCCCCCCCCCCC(C)CC)C(C)C
InChIInChI=1S/C23H46/c1-6-22(4)19-17-15-13-11-9-7-8-10-12-14-16-18-20-23(5)21(2)3/h21-22H,5-20H2,1-4H3
InChIKeyYDBYOWOQWQIPRS-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethylnon-1-ene
CID 123682074
3,8-dimethyl-4-methylidenedecane
CID 177054037
(18R)-18-methylicosanoic acid
CID 71587706
7-methyl-6-methylideneoctan-1-amine
CID 129099714
8-methyl-7-methylidenenonan-1-amine
CID 174252779
2,11-dimethylnonadec-1-ene
CID 123484198
(7S)-7-methylnonan-1-ol
CID 11105641
(10S)-10-methyldodecan-1-ol
CID 11715372
(11S)-11-methyltridecan-1-ol
CID 71389600
14-methylhexadecan-1-ol
CID 5283264
ethyl 10-methyl-2-methylidenedodecanoate
CID 139878414
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311

Frequently Asked Questions

What is the IUPAC name of 2,18-dimethyl-3-methylideneicosane?
The IUPAC name of 2,18-dimethyl-3-methylideneicosane (CID 123398512) is 2,18-dimethyl-3-methylideneicosane.
What is the SMILES notation for 2,18-dimethyl-3-methylideneicosane?
The canonical SMILES for 2,18-dimethyl-3-methylideneicosane is C=C(CCCCCCCCCCCCCCC(C)CC)C(C)C.
What is the InChIKey of 2,18-dimethyl-3-methylideneicosane?
The InChIKey is YDBYOWOQWQIPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-6-22(4)19-17-15-13-11-9-7-8-10-12-14-16-18-20-23(5)21(2)3/h21-22H,5-20H2,1-4H3.
What are the key properties of 2,18-dimethyl-3-methylideneicosane?
2,18-dimethyl-3-methylideneicosane has a molecular weight of 322.62 g/mol, XLogP of 8.71, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,18-dimethyl-3-methylideneicosane is sourced from PubChem (CID 123398512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).