1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene

C16H24O — CID 155310542

IUPAC1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene
SMILESCCCCCOc1ccc(C2(C)CC2C)cc1
InChIInChI=1S/C16H24O/c1-4-5-6-11-17-15-9-7-14(8-10-15)16(3)12-13(16)2/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyUIOGHGXCKPKGLW-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.55
Rot. Bonds6

About 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene

1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene (PubChem CID 155310542) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene.

Molecular Properties

Compound Name1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene
PubChem CID155310542
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene
SMILESCCCCCOc1ccc(C2(C)CC2C)cc1
InChIInChI=1S/C16H24O/c1-4-5-6-11-17-15-9-7-14(8-10-15)16(3)12-13(16)2/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyUIOGHGXCKPKGLW-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.55
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

1,4-dipentoxybenzene
CID 18314717
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-(1-hexylcyclohexyl)-4-pentoxybenzene
CID 70489126
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
1-(4-pentoxyphenyl)-4-propylcyclohexane-1-carbonitrile
CID 18596982
[2-(4-pentoxyphenyl)-1,3-dioxolan-2-yl]methanamine
CID 58428365
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene?
The IUPAC name of 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene (CID 155310542) is 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene.
What is the SMILES notation for 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene?
The canonical SMILES for 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene is CCCCCOc1ccc(C2(C)CC2C)cc1.
What is the InChIKey of 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene?
The InChIKey is UIOGHGXCKPKGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-5-6-11-17-15-9-7-14(8-10-15)16(3)12-13(16)2/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene?
1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene has a molecular weight of 232.37 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene is sourced from PubChem (CID 155310542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).