4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane

C18H38O — CID 18359494

IUPAC4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
SMILESCC(C)CC(CC(C)C)OC(CC(C)C)CC(C)C
InChIInChI=1S/C18H38O/c1-13(2)9-17(10-14(3)4)19-18(11-15(5)6)12-16(7)8/h13-18H,9-12H2,1-8H3
InChIKeySYVDJRFFSYWOPC-UHFFFAOYSA-N
MW270.50 g/mol
LogP5.92
Rot. Bonds10

About 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane

4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane (PubChem CID 18359494) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane.

Molecular Properties

Compound Name4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
PubChem CID18359494
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
SMILESCC(C)CC(CC(C)C)OC(CC(C)C)CC(C)C
InChIInChI=1S/C18H38O/c1-13(2)9-17(10-14(3)4)19-18(11-15(5)6)12-16(7)8/h13-18H,9-12H2,1-8H3
InChIKeySYVDJRFFSYWOPC-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032
tris(2,6-dimethylheptan-4-yloxy)silane
CID 175859767
CID 167440331
CID 167440331
2,4-dimethylpentane
CID 157050020
4-but-3-en-2-yloxy-2,6,8-trimethylnonane
CID 169038465
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
O-(1-amino-4-methylpentan-2-yl)hydroxylamine
CID 118970501
2,4-dimethylpentane;methane
CID 159476318
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine
CID 163968768
2,6-dimethylheptan-4-yl hydrogen carbonate
CID 154411359
(3R)-2,5-dimethyl-3-[[4-methyl-2-[1-[(2R)-3-methyl-2-[[3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]methyl]butoxy]-3-[3-[(2R)-3-methyl-2-[[(2S)-4-methyl-2-propan-2-ylpentoxy]methyl]butoxy]-2-[(2R)-4-methyl-2-propan-2-ylpentoxy]propoxy]propan-2-yl]oxypentoxy]methyl]hexane
CID 118012539

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane?
The IUPAC name of 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane (CID 18359494) is 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane.
What is the SMILES notation for 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane?
The canonical SMILES for 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane is CC(C)CC(CC(C)C)OC(CC(C)C)CC(C)C.
What is the InChIKey of 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane?
The InChIKey is SYVDJRFFSYWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-13(2)9-17(10-14(3)4)19-18(11-15(5)6)12-16(7)8/h13-18H,9-12H2,1-8H3.
What are the key properties of 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane?
4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane has a molecular weight of 270.50 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane is sourced from PubChem (CID 18359494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).