CID 3497403

C27H38O7 — CID 3497403

IUPAC—
SMILESCCOc1ccc(COCC2OC3OC4(CCCCC4)OC3C3OC4(CCCCC4)OC23)cc1
InChIInChI=1S/C27H38O7/c1-2-29-20-11-9-19(10-12-20)17-28-18-21-22-23(32-26(31-22)13-5-3-6-14-26)24-25(30-21)34-27(33-24)15-7-4-8-16-27/h9-12,21-25H,2-8,13-18H2,1H3
InChIKeyNPEVIEODXXWXPX-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.85
Rot. Bonds6

About CID 3497403

CID 3497403 (PubChem CID 3497403) has the molecular formula C27H38O7 and a molecular weight of 474.59 g/mol.

Molecular Properties

Compound NameCID 3497403
PubChem CID3497403
Molecular FormulaC27H38O7
Molecular Weight474.59 g/mol
Exact Mass474.26
IUPAC Name—
SMILESCCOc1ccc(COCC2OC3OC4(CCCCC4)OC3C3OC4(CCCCC4)OC23)cc1
InChIInChI=1S/C27H38O7/c1-2-29-20-11-9-19(10-12-20)17-28-18-21-22-23(32-26(31-22)13-5-3-6-14-26)24-25(30-21)34-27(33-24)15-7-4-8-16-27/h9-12,21-25H,2-8,13-18H2,1H3
InChIKeyNPEVIEODXXWXPX-UHFFFAOYSA-N
XLogP4.85
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3aR,5S,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-[(4-ethoxyphenyl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 92509162
(3aS,5S,6R,6aS)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-[(4-ethoxyphenyl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 124767583
(1S,2S,6R,8S,9R)-4,4,11,11-tetramethyl-8-[(4-propan-2-yloxyphenyl)methoxymethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 163056426
CID 98398531
CID 98398531
(3aR,5R,6S,6aR)-6-[(4-butoxyphenyl)methoxy]-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 25425895
(3aR,5S,6R,6aS)-6-[(4-butoxyphenyl)methoxy]-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 100878862
CID 42560815
CID 42560815
(3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 18597827
(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-8-[[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11104722
(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-8-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11093967
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
CID 11888752
CID 11888752

Frequently Asked Questions

What is the IUPAC name of CID 3497403?
The IUPAC name of CID 3497403 (CID 3497403) is not available.
What is the SMILES notation for CID 3497403?
The canonical SMILES for CID 3497403 is CCOc1ccc(COCC2OC3OC4(CCCCC4)OC3C3OC4(CCCCC4)OC23)cc1.
What is the InChIKey of CID 3497403?
The InChIKey is NPEVIEODXXWXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O7/c1-2-29-20-11-9-19(10-12-20)17-28-18-21-22-23(32-26(31-22)13-5-3-6-14-26)24-25(30-21)34-27(33-24)15-7-4-8-16-27/h9-12,21-25H,2-8,13-18H2,1H3.
What are the key properties of CID 3497403?
CID 3497403 has a molecular weight of 474.59 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 3497403 is sourced from PubChem (CID 3497403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).