(1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol

C20H32O2 — CID 10518634

IUPAC(1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol
SMILESC=C1[C@@H](O)CC[C@@]2(C)CCC3=C(C)CC[C@@H]([C@@H](O)[C@H]12)C3(C)C
InChIInChI=1S/C20H32O2/c1-12-6-7-15-18(22)17-13(2)16(21)9-11-20(17,5)10-8-14(12)19(15,3)4/h15-18,21-22H,2,6-11H2,1,3-5H3/t15-,16-,17-,18+,20+/m0/s1
InChIKeyQDSRNVITOJPOJZ-KVIJGQROSA-N
MW304.47 g/mol
LogP4.23
Rot. Bonds

About (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol

(1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol (PubChem CID 10518634) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol.

Molecular Properties

Compound Name(1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol
PubChem CID10518634
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol
SMILESC=C1[C@@H](O)CC[C@@]2(C)CCC3=C(C)CC[C@@H]([C@@H](O)[C@H]12)C3(C)C
InChIInChI=1S/C20H32O2/c1-12-6-7-15-18(22)17-13(2)16(21)9-11-20(17,5)10-8-14(12)19(15,3)4/h15-18,21-22H,2,6-11H2,1,3-5H3/t15-,16-,17-,18+,20+/m0/s1
InChIKeyQDSRNVITOJPOJZ-KVIJGQROSA-N
XLogP4.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol?
The IUPAC name of (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol (CID 10518634) is (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol.
What is the SMILES notation for (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol?
The canonical SMILES for (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol is C=C1[C@@H](O)CC[C@@]2(C)CCC3=C(C)CC[C@@H]([C@@H](O)[C@H]12)C3(C)C.
What is the InChIKey of (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol?
The InChIKey is QDSRNVITOJPOJZ-KVIJGQROSA-N. The full InChI is InChI=1S/C20H32O2/c1-12-6-7-15-18(22)17-13(2)16(21)9-11-20(17,5)10-8-14(12)19(15,3)4/h15-18,21-22H,2,6-11H2,1,3-5H3/t15-,16-,17-,18+,20+/m0/s1.
What are the key properties of (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol?
(1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol has a molecular weight of 304.47 g/mol, XLogP of 4.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,5-diol is sourced from PubChem (CID 10518634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).