[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol

C14H22O2 — CID 153180704

IUPAC[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
SMILESOCC1(CO)CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H22O2/c15-6-14(7-16)5-10-4-11(14)13-9-2-1-8(3-9)12(10)13/h8-13,15-16H,1-7H2
InChIKeyWGCMGSWFNRJYQT-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.66
Rot. Bonds2

About [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol

[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol (PubChem CID 153180704) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
PubChem CID153180704
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
SMILESOCC1(CO)CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C14H22O2/c15-6-14(7-16)5-10-4-11(14)13-9-2-1-8(3-9)12(10)13/h8-13,15-16H,1-7H2
InChIKeyWGCMGSWFNRJYQT-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl 2-methylprop-2-enoate
CID 142396736
(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
4,4-diphenyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 155725158
4-ethoxy-4-ethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 90005074
3-methyl-1-(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)but-3-en-2-one
CID 163619518
[(1R,3S,6R,8S)-5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
CID 11031451
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
[(1R,3S,4S,6S,8S)-4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] prop-2-enoate
CID 138643060
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
CID 159961877
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
acetaldehyde;methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 144931340
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
CID 67964667

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol (CID 153180704) is [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol is OCC1(CO)CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol?
The InChIKey is WGCMGSWFNRJYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-6-14(7-16)5-10-4-11(14)13-9-2-1-8(3-9)12(10)13/h8-13,15-16H,1-7H2.
What are the key properties of [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol?
[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol has a molecular weight of 222.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol is sourced from PubChem (CID 153180704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).