(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol

C12H18O — CID 130857696

IUPAC(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
SMILESOC1C[C@@H]2C[C@H]1[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21
InChIInChI=1S/C12H18O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-13H,1-5H2/t6-,7+,8-,9+,10?,11-,12+/m0/s1
InChIKeyLXGJTVCALLQHGZ-OYILVQHOSA-N
MW178.27 g/mol
LogP2.05
Rot. Bonds

About (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol

(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol (PubChem CID 130857696) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol.

Molecular Properties

Compound Name(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
PubChem CID130857696
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
SMILESOC1C[C@@H]2C[C@H]1[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21
InChIInChI=1S/C12H18O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-13H,1-5H2/t6-,7+,8-,9+,10?,11-,12+/m0/s1
InChIKeyLXGJTVCALLQHGZ-OYILVQHOSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol with MolForge

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Related Compounds

4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol
CID 130146424
(1S,2R,3R,5R,6S,8S,9S,11S,12R,13S)-pentacyclo[11.2.1.02,6.05,9.08,12]hexadecane-3,11-diol
CID 125035129
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
CID 159961877
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336
tricyclo[5.2.1.02,6]decane-3,4,9-triol
CID 13191206
(1S,2S,3R,6S,7S)-tricyclo[5.2.1.02,6]decan-3-ol
CID 98561743
(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 124812816

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The IUPAC name of (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol (CID 130857696) is (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol.
What is the SMILES notation for (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The canonical SMILES for (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol is OC1C[C@@H]2C[C@H]1[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]21.
What is the InChIKey of (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
The InChIKey is LXGJTVCALLQHGZ-OYILVQHOSA-N. The full InChI is InChI=1S/C12H18O/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h6-13H,1-5H2/t6-,7+,8-,9+,10?,11-,12+/m0/s1.
What are the key properties of (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol?
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol has a molecular weight of 178.27 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol is sourced from PubChem (CID 130857696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).