(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene

C22H38O — CID 150202731

IUPAC(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
SMILESCCCCCCCCCC(Oc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38O/c1-6-7-8-9-10-11-15-18-22(19(2)3,20(4)5)23-21-16-13-12-14-17-21/h12-14,16-17,19-20H,6-11,15,18H2,1-5H3
InChIKeyFPVJEABAFWCTRY-UHFFFAOYSA-N
MW318.55 g/mol
LogP7.26
Rot. Bonds12

About (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene

(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene (PubChem CID 150202731) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene.

Molecular Properties

Compound Name(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
PubChem CID150202731
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
SMILESCCCCCCCCCC(Oc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38O/c1-6-7-8-9-10-11-15-18-22(19(2)3,20(4)5)23-21-16-13-12-14-17-21/h12-14,16-17,19-20H,6-11,15,18H2,1-5H3
InChIKeyFPVJEABAFWCTRY-UHFFFAOYSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-pentyl-2-phenoxyheptanoic acid
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CID 66866946
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2-phenoxyheptan-2-yl carbamate
CID 70560200
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556
2-(1-phenoxyethoxy)undecan-2-ol
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(1-benzylperoxy-1-nonylheptadecoxy)benzene
CID 159299896
(3-bromo-2-methylpentadecan-2-yl)oxybenzene
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CID 159693537

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene?
The IUPAC name of (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene (CID 150202731) is (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene.
What is the SMILES notation for (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene?
The canonical SMILES for (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene is CCCCCCCCCC(Oc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene?
The InChIKey is FPVJEABAFWCTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-6-7-8-9-10-11-15-18-22(19(2)3,20(4)5)23-21-16-13-12-14-17-21/h12-14,16-17,19-20H,6-11,15,18H2,1-5H3.
What are the key properties of (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene?
(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene has a molecular weight of 318.55 g/mol, XLogP of 7.26, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene is sourced from PubChem (CID 150202731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).