17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol

C20H28O3 — CID 2516

IUPAC17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
SMILESCC12CCc3occc3C1CCC13CC(CCC12)C(O)(CO)C3
InChIInChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3
InChIKeyDNJVYWXIDISQRD-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.64
Rot. Bonds1

About 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol

17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol (PubChem CID 2516) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol.

Molecular Properties

Compound Name17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
PubChem CID2516
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
SMILESCC12CCc3occc3C1CCC13CC(CCC12)C(O)(CO)C3
InChIInChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3
InChIKeyDNJVYWXIDISQRD-UHFFFAOYSA-N
XLogP3.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol with MolForge

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Related Compounds

Cafestol
CID 108052
Kahweol
CID 114778
Mozambioside
CID 73822377
5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-, (3balpha,5abeta,7beta,8beta,10aalpha,10bbeta)-
CID 4480653
(17-Hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl)methyl acetate
CID 2517
(1S,4S,12S,13R,16S,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
CID 10018664
Furodysinin
CID 360188
Kahweol palmitate
CID 133757
Bonducellpin G
CID 23643018
Cordylane A
CID 24770363
Sucutinirane F
CID 44139375
Naphtho(2,3-b)furan, 4,4a,5,6,8a,9-hexahydro-4,4,7-trimethyl-, (4aS,8aR)-
CID 155517

Frequently Asked Questions

What is the IUPAC name of 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol?
The IUPAC name of 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol (CID 2516) is 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol.
What is the SMILES notation for 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol?
The canonical SMILES for 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol is CC12CCc3occc3C1CCC13CC(CCC12)C(O)(CO)C3.
What is the InChIKey of 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol?
The InChIKey is DNJVYWXIDISQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3.
What are the key properties of 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol?
17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol has a molecular weight of 316.44 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol is sourced from PubChem (CID 2516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).