(7-ethyl-5-methyldodecan-4-yl)cyclobutane

C19H38 — CID 123270914

IUPAC(7-ethyl-5-methyldodecan-4-yl)cyclobutane
SMILESCCCCCC(CC)CC(C)C(CCC)C1CCC1
InChIInChI=1S/C19H38/c1-5-8-9-12-17(7-3)15-16(4)19(11-6-2)18-13-10-14-18/h16-19H,5-15H2,1-4H3
InChIKeyLXNIUFCRZMHHNF-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.84
Rot. Bonds11

About (7-ethyl-5-methyldodecan-4-yl)cyclobutane

(7-ethyl-5-methyldodecan-4-yl)cyclobutane (PubChem CID 123270914) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is (7-ethyl-5-methyldodecan-4-yl)cyclobutane.

Molecular Properties

Compound Name(7-ethyl-5-methyldodecan-4-yl)cyclobutane
PubChem CID123270914
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name(7-ethyl-5-methyldodecan-4-yl)cyclobutane
SMILESCCCCCC(CC)CC(C)C(CCC)C1CCC1
InChIInChI=1S/C19H38/c1-5-8-9-12-17(7-3)15-16(4)19(11-6-2)18-13-10-14-18/h16-19H,5-15H2,1-4H3
InChIKeyLXNIUFCRZMHHNF-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyldecan-3-ylcyclopentane
CID 167499527
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
2-methyloctan-3-ylcycloheptane
CID 123273196
1-methyl-3-(3-methylheptan-4-yl)cyclohexane
CID 147901007
4-ethyl-6-propyltetradecane
CID 91553020
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189
4-ethyl-2-methyldecane
CID 19893744
9-ethyl-7-pentylhexadecane
CID 91283125
9-ethyl-11-heptylnonadecane
CID 90975246
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
(10-methyl-2,4-dipropylhexadecyl)cyclobutane
CID 123528553

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-5-methyldodecan-4-yl)cyclobutane?
The IUPAC name of (7-ethyl-5-methyldodecan-4-yl)cyclobutane (CID 123270914) is (7-ethyl-5-methyldodecan-4-yl)cyclobutane.
What is the SMILES notation for (7-ethyl-5-methyldodecan-4-yl)cyclobutane?
The canonical SMILES for (7-ethyl-5-methyldodecan-4-yl)cyclobutane is CCCCCC(CC)CC(C)C(CCC)C1CCC1.
What is the InChIKey of (7-ethyl-5-methyldodecan-4-yl)cyclobutane?
The InChIKey is LXNIUFCRZMHHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-5-8-9-12-17(7-3)15-16(4)19(11-6-2)18-13-10-14-18/h16-19H,5-15H2,1-4H3.
What are the key properties of (7-ethyl-5-methyldodecan-4-yl)cyclobutane?
(7-ethyl-5-methyldodecan-4-yl)cyclobutane has a molecular weight of 266.51 g/mol, XLogP of 6.84, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-5-methyldodecan-4-yl)cyclobutane is sourced from PubChem (CID 123270914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).