(1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol

C28H28O5 — CID 102283055

IUPAC(1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol
SMILESC=C(C)c1c(O)c2c(c3c1[C@@H]1COc4cc5c(cc4[C@@H]1O3)C=CC(C)(C)O5)C=CC(C)(C)O2
InChIInChI=1S/C28H28O5/c1-14(2)21-22-18-13-30-20-12-19-15(7-9-27(3,4)32-19)11-17(20)24(18)31-25(22)16-8-10-28(5,6)33-26(16)23(21)29/h7-12,18,24,29H,1,13H2,2-6H3/t18-,24-/m0/s1
InChIKeyRQVJGWFDTCNOGS-UUOWRZLLSA-N
MW444.53 g/mol
LogP6.40
Rot. Bonds1

About (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol

(1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol (PubChem CID 102283055) has the molecular formula C28H28O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol.

Molecular Properties

Compound Name(1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol
PubChem CID102283055
Molecular FormulaC28H28O5
Molecular Weight444.53 g/mol
Exact Mass444.19
IUPAC Name(1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol
SMILESC=C(C)c1c(O)c2c(c3c1[C@@H]1COc4cc5c(cc4[C@@H]1O3)C=CC(C)(C)O5)C=CC(C)(C)O2
InChIInChI=1S/C28H28O5/c1-14(2)21-22-18-13-30-20-12-19-15(7-9-27(3,4)32-19)11-17(20)24(18)31-25(22)16-8-10-28(5,6)33-26(16)23(21)29/h7-12,18,24,29H,1,13H2,2-6H3/t18-,24-/m0/s1
InChIKeyRQVJGWFDTCNOGS-UUOWRZLLSA-N
XLogP6.40
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol with MolForge

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Related Compounds

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CID 56665483
17,17-dimethyl-8-(3-methylbut-2-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,15,19-heptaene-7,20-diol
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Frequently Asked Questions

What is the IUPAC name of (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol?
The IUPAC name of (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol (CID 102283055) is (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol.
What is the SMILES notation for (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol?
The canonical SMILES for (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol is C=C(C)c1c(O)c2c(c3c1[C@@H]1COc4cc5c(cc4[C@@H]1O3)C=CC(C)(C)O5)C=CC(C)(C)O2.
What is the InChIKey of (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol?
The InChIKey is RQVJGWFDTCNOGS-UUOWRZLLSA-N. The full InChI is InChI=1S/C28H28O5/c1-14(2)21-22-18-13-30-20-12-19-15(7-9-27(3,4)32-19)11-17(20)24(18)31-25(22)16-8-10-28(5,6)33-26(16)23(21)29/h7-12,18,24,29H,1,13H2,2-6H3/t18-,24-/m0/s1.
What are the key properties of (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol?
(1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol has a molecular weight of 444.53 g/mol, XLogP of 6.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14R)-7,7,20,20-tetramethyl-16-prop-1-en-2-yl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15,17,21,23-octaen-17-ol is sourced from PubChem (CID 102283055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).