(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol

C14H20O — CID 10081648

IUPAC(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol
SMILESCC(C)=C1[C@@H]2C(O)[C@H]3C(=C(C)C)[C@@H]2C[C@@H]13
InChIInChI=1S/C14H20O/c1-6(2)10-8-5-9-11(7(3)4)13(8)14(15)12(9)10/h8-9,12-15H,5H2,1-4H3/t8-,9-,12+,13+/m0/s1
InChIKeyOZQSXCDSKXALJE-RBJBARPLSA-N
MW204.31 g/mol
LogP2.92
Rot. Bonds

About (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol

(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol (PubChem CID 10081648) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol.

Molecular Properties

Compound Name(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol
PubChem CID10081648
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol
SMILESCC(C)=C1[C@@H]2C(O)[C@H]3C(=C(C)C)[C@@H]2C[C@@H]13
InChIInChI=1S/C14H20O/c1-6(2)10-8-5-9-11(7(3)4)13(8)14(15)12(9)10/h8-9,12-15H,5H2,1-4H3/t8-,9-,12+,13+/m0/s1
InChIKeyOZQSXCDSKXALJE-RBJBARPLSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol
CID 130144952
(1R,2R,7S)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 87491240
5-propan-2-ylidenetricyclo[4.1.0.02,4]heptane-3-carboxylate
CID 3338752
7-propan-2-ylidenebicyclo[2.2.1]heptane
CID 11073488
(NZ)-N-[(1S,3R,5R,6E,7R,8S,9S,10S,11R)-6-hydroxyimino-4-propan-2-ylidene-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanylidene]hydroxylamine
CID 125034009
(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane
CID 102481953
(1R,2R,3S,4R)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18556441
(1R,3S,6S,8R)-11-propan-2-ylidenetetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
CID 125036274
(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane
CID 98477758
(1S,2R,3R,4S)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 100719829
5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,3-diol
CID 91713074
(1S,2S,3R,4S,5R,6R)-10-[tert-butyl(dimethyl)silyl]oxy-11-propan-2-ylidenetricyclo[4.3.1.12,5]undecane-3,4-diol
CID 11046408

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol?
The IUPAC name of (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol (CID 10081648) is (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol.
What is the SMILES notation for (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol?
The canonical SMILES for (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol is CC(C)=C1[C@@H]2C(O)[C@H]3C(=C(C)C)[C@@H]2C[C@@H]13.
What is the InChIKey of (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol?
The InChIKey is OZQSXCDSKXALJE-RBJBARPLSA-N. The full InChI is InChI=1S/C14H20O/c1-6(2)10-8-5-9-11(7(3)4)13(8)14(15)12(9)10/h8-9,12-15H,5H2,1-4H3/t8-,9-,12+,13+/m0/s1.
What are the key properties of (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol?
(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol is sourced from PubChem (CID 10081648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).