1-butoxynaphthalene;pentane-1,5-diol

C19H28O3 — CID 67747662

IUPAC1-butoxynaphthalene;pentane-1,5-diol
SMILESCCCCOc1cccc2ccccc12.OCCCCCO
InChIInChI=1S/C14H16O.C5H12O2/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14;6-4-2-1-3-5-7/h4-10H,2-3,11H2,1H3;6-7H,1-5H2
InChIKeyMTHBYUZCWPOMRR-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.16
Rot. Bonds8

About 1-butoxynaphthalene;pentane-1,5-diol

1-butoxynaphthalene;pentane-1,5-diol (PubChem CID 67747662) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-butoxynaphthalene;pentane-1,5-diol.

Molecular Properties

Compound Name1-butoxynaphthalene;pentane-1,5-diol
PubChem CID67747662
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name1-butoxynaphthalene;pentane-1,5-diol
SMILESCCCCOc1cccc2ccccc12.OCCCCCO
InChIInChI=1S/C14H16O.C5H12O2/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14;6-4-2-1-3-5-7/h4-10H,2-3,11H2,1H3;6-7H,1-5H2
InChIKeyMTHBYUZCWPOMRR-UHFFFAOYSA-N
XLogP4.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxynaphthalene
CID 13262700
1-decoxyphenanthrene
CID 140993229
3-methylbuta-1,2-diene;1-pentoxynaphthalene
CID 174706158
1,4-dibutoxynaphthalene
CID 22016411
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
butyl N-(2-naphthalen-1-yloxyethyl)carbamate
CID 19174706
naphthalene;octan-1-ol
CID 90016891
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
1-nonoxyanthracene
CID 86193569
1,2,3-tridodecoxybenzene
CID 11308140

Frequently Asked Questions

What is the IUPAC name of 1-butoxynaphthalene;pentane-1,5-diol?
The IUPAC name of 1-butoxynaphthalene;pentane-1,5-diol (CID 67747662) is 1-butoxynaphthalene;pentane-1,5-diol.
What is the SMILES notation for 1-butoxynaphthalene;pentane-1,5-diol?
The canonical SMILES for 1-butoxynaphthalene;pentane-1,5-diol is CCCCOc1cccc2ccccc12.OCCCCCO.
What is the InChIKey of 1-butoxynaphthalene;pentane-1,5-diol?
The InChIKey is MTHBYUZCWPOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C5H12O2/c1-2-3-11-15-14-10-6-8-12-7-4-5-9-13(12)14;6-4-2-1-3-5-7/h4-10H,2-3,11H2,1H3;6-7H,1-5H2.
What are the key properties of 1-butoxynaphthalene;pentane-1,5-diol?
1-butoxynaphthalene;pentane-1,5-diol has a molecular weight of 304.43 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxynaphthalene;pentane-1,5-diol is sourced from PubChem (CID 67747662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).