1-pentoxypentane;styrene

C18H30O — CID 174531543

IUPAC1-pentoxypentane;styrene
SMILESC=Cc1ccccc1.CCCCCOCCCCC
InChIInChI=1S/C10H22O.C8H8/c1-3-5-7-9-11-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h3-10H2,1-2H3;2-7H,1H2
InChIKeySCPWAJZNEYJDAN-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.71
Rot. Bonds9

About 1-pentoxypentane;styrene

1-pentoxypentane;styrene (PubChem CID 174531543) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-pentoxypentane;styrene.

Molecular Properties

Compound Name1-pentoxypentane;styrene
PubChem CID174531543
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-pentoxypentane;styrene
SMILESC=Cc1ccccc1.CCCCCOCCCCC
InChIInChI=1S/C10H22O.C8H8/c1-3-5-7-9-11-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h3-10H2,1-2H3;2-7H,1H2
InChIKeySCPWAJZNEYJDAN-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.71
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

hept-1-ene;styrene
CID 163533806
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
styrene;tridecyl prop-2-enoate
CID 70120047
N-pentylpentan-1-amine;styrene
CID 69462371
methylsulfanylmethane;pentane-1-thiol;styrene
CID 145163199
1-ethenyl-4-henicosoxybenzene
CID 174769675
butane;2,2-dimethylpropane;ethane;pentane;propane;styrene
CID 158403421
1-pentoxypentane;1-phenylethenylbenzene
CID 174459575
1-ethenyl-4-undecoxybenzene
CID 174770051
3-henicosoxyprop-1-enylbenzene
CID 139660432
3-nonoxyprop-1-enylbenzene
CID 91487084

Frequently Asked Questions

What is the IUPAC name of 1-pentoxypentane;styrene?
The IUPAC name of 1-pentoxypentane;styrene (CID 174531543) is 1-pentoxypentane;styrene.
What is the SMILES notation for 1-pentoxypentane;styrene?
The canonical SMILES for 1-pentoxypentane;styrene is C=Cc1ccccc1.CCCCCOCCCCC.
What is the InChIKey of 1-pentoxypentane;styrene?
The InChIKey is SCPWAJZNEYJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C8H8/c1-3-5-7-9-11-10-8-6-4-2;1-2-8-6-4-3-5-7-8/h3-10H2,1-2H3;2-7H,1H2.
What are the key properties of 1-pentoxypentane;styrene?
1-pentoxypentane;styrene has a molecular weight of 262.44 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypentane;styrene is sourced from PubChem (CID 174531543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).