[3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol

C34H38O4 — CID 123959299

IUPAC[3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol
SMILESC=CC(C)(C)CC(C)(C)C1OC(CO)C(Oc2cccc3ccccc23)C1Oc1cccc2ccccc12
InChIInChI=1S/C34H38O4/c1-6-33(2,3)22-34(4,5)32-31(37-28-20-12-16-24-14-8-10-18-26(24)28)30(29(21-35)38-32)36-27-19-11-15-23-13-7-9-17-25(23)27/h6-20,29-32,35H,1,21-22H2,2-5H3
InChIKeyGUSMMPADSVORGQ-UHFFFAOYSA-N
MW510.67 g/mol
LogP7.58
Rot. Bonds9

About [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol

[3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol (PubChem CID 123959299) has the molecular formula C34H38O4 and a molecular weight of 510.67 g/mol. Its IUPAC name is [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol
PubChem CID123959299
Molecular FormulaC34H38O4
Molecular Weight510.67 g/mol
Exact Mass510.28
IUPAC Name[3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol
SMILESC=CC(C)(C)CC(C)(C)C1OC(CO)C(Oc2cccc3ccccc23)C1Oc1cccc2ccccc12
InChIInChI=1S/C34H38O4/c1-6-33(2,3)22-34(4,5)32-31(37-28-20-12-16-24-14-8-10-18-26(24)28)30(29(21-35)38-32)36-27-19-11-15-23-13-7-9-17-25(23)27/h6-20,29-32,35H,1,21-22H2,2-5H3
InChIKeyGUSMMPADSVORGQ-UHFFFAOYSA-N
XLogP7.58
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.67
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3,4-bis(4-methylphenoxy)-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol
CID 123323757
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
(2R,3R,4S,5R,6R)-3-anthracen-1-yloxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 87681257
5-naphthalen-1-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-3,6,7-triol
CID 142590210
[(2R,3S,4S,5S,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxan-4-yl] acetate
CID 124744758
[(2S,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-naphthalen-1-yloxyoxan-2-yl]methyl acetate
CID 40815640
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
dimethyl-(2-methylbut-3-en-2-yl)-naphthalen-1-ylsilane
CID 14490056
2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one
CID 66368643
[(2S,3R,4R,5S)-4-methoxy-3-methyl-5-naphthalen-1-yloxolan-2-yl]methanol
CID 164966177
2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol
CID 142590144
3-naphthalen-1-yloxyoxane
CID 107137916

Frequently Asked Questions

What is the IUPAC name of [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol?
The IUPAC name of [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol (CID 123959299) is [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol?
The canonical SMILES for [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol is C=CC(C)(C)CC(C)(C)C1OC(CO)C(Oc2cccc3ccccc23)C1Oc1cccc2ccccc12.
What is the InChIKey of [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol?
The InChIKey is GUSMMPADSVORGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O4/c1-6-33(2,3)22-34(4,5)32-31(37-28-20-12-16-24-14-8-10-18-26(24)28)30(29(21-35)38-32)36-27-19-11-15-23-13-7-9-17-25(23)27/h6-20,29-32,35H,1,21-22H2,2-5H3.
What are the key properties of [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol?
[3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol has a molecular weight of 510.67 g/mol, XLogP of 7.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dinaphthalen-1-yloxy-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 123959299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).